SCHEMBL719803

SCHEMBL719803

COC(=O)c1nc(Cl)nc(N)c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
PKM P14618 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RCE1 Q9Y256 1/20 0.37
HPGD P15428 3/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 3/20 0.33
ABL1 P00519 2/20 0.33
CGAS Q8N884 1/20 0.33
GLA P06280 1/20 0.33
NQO2 P16083 4/20 0.33
CYP1A2 P05177 1/20 0.33
F2 P00734 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL719555 0.82 NPSR1 (0.48) NPSR1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL29352298 0.82 NPSR1 (0.48) NPSR1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL29556424 0.82 NPSR1 (0.48) NPSR1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL118992 0.82 NPSR1 (0.48) NPSR1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL13256088 0.81 NPSR1 (0.47) NPSR1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL10255541 0.81 NPSR1 (0.47) NPSR1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL12338199 0.81 NPSR1 (0.47) NPSR1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL3792082 0.81 NPSR1 (0.47) NPSR1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL19627710 0.81 NPSR1 (0.47) NPSR1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL1397019 0.79 NPSR1 (0.45) NPSR1KDM4EALDH1A1PKMSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12281118-B2 Nitrogen-containing fused heterocyclic SHP2 inhibitor compound, preparation method, and use SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2025-04-22 US disclosed
CN-114751903-B Nitrogen-containing fused heterocycle SHP2 inhibitor compound, preparation method and application 上海凌达生物医药有限公司 2023-09-15 CN disclosed
CN-114751903-A Nitrogen-containing fused heterocyclic SHP2 inhibitor compound, preparation method and application 上海凌达生物医药有限公司 2022-07-15 CN disclosed
US-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2022-04-28 US disclosed
US-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2022-04-28 US disclosed
CN-114269746-A Spiro aromatic ring compound, preparation and application thereof 上海奕拓医药科技有限责任公司 2022-04-01 CN disclosed
CN-111153901-B Nitrogen-containing fused heterocyclic SHP2 inhibitor compound, preparation method and application 上海凌达生物医药有限公司 2022-01-25 CN disclosed
EP-3878853-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE Shanghai Ringene BioPharma Co., Ltd. (CN) 2021-09-15 EP disclosed
EP-3878853-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE Shanghai Ringene BioPharma Co., Ltd. (CN) 2021-09-15 EP disclosed
WO-2021018287-A1 SPIROAROMATIC COMPOUND, PREPARATION AND APPLICATION THEREOF 上海奕拓医药科技有限责任公司 2021-02-04 WO disclosed
US-7786044-B2 e.g.4-Amino-6-(4-chlorophenyl)-5-fluoro-3-vinylpyridine-2-carboxylic acid; 4-Acetylamino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-trimethylsilanylethynylpyridine-2-carboxylic acid methyl ester; DOW AGROSCIENCES LLC (US) 2010-08-31 US disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO disclosed
US-20100041556-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3-ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-02-18 US disclosed
US-20100041556-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3-ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-02-18 US disclosed
US-20100041556-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3-ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-02-18 US disclosed
WO-2009046090-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3- ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-04-09 WO disclosed
US-20090088322-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3- ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-04-02 US disclosed
US-20090088322-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3- ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-04-02 US disclosed
US-20090088322-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3- ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-04-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12281118-B2 Nitrogen-containing fused heterocyclic SHP2 inhibitor compound, preparation method, and use PTPN1, PTPN7, PTPN9 NPSR1 1693/4885KDM4E 932/4885ALDH1A1 3157/4885
US-20100041556-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3-ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES AADAC, AASDHPPT, AADAT NPSR1 1621/4885KDM4E 608/4885ALDH1A1 1070/4885
US-20090088322-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3- ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES AADAC, AASDHPPT, AADAT NPSR1 1621/4885KDM4E 608/4885ALDH1A1 1070/4885
US-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE PTPN1, PTPN7, PTPN9 NPSR1 1693/4885KDM4E 932/4885ALDH1A1 3157/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.