SCHEMBL830636

SCHEMBL830636

O=[N+]([O-])c1ccc(F)c(CBr)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HIF1A Q16665 1/20 0.56
TDP1 Q9NUW8 4/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GSK3B P49841 1/20 0.41
VCAM1 P19320 1/20 0.41
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
AMY1A P0DUB6 1/20 0.40

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
SCHEMBL29471963 1.00 ALDH1A1 (0.56) ALDH1A1HIF1ATDP1CYP3A4GAA
SCHEMBL27492632 0.86 ALDH1A1 (0.53) ALDH1A1HIF1ATDP1CYP3A4GAA
SCHEMBL260847 0.85 ALDH1A1 (0.52) ALDH1A1HIF1ATDP1CYP3A4GAA
SCHEMBL29617011 0.85 ALDH1A1 (0.52) ALDH1A1HIF1ATDP1CYP3A4GAA
SCHEMBL15076454 0.83 ALDH1A1 (0.58) ALDH1A1HIF1ATDP1GAATSHR
SCHEMBL12955135 0.83 ALDH1A1 (0.58) ALDH1A1HIF1ATDP1CYP3A4GAA
SCHEMBL29368452 0.82 CYP1A2 (0.47) ALDH1A1HIF1ATDP1CYP3A4TSHR
SCHEMBL260864 0.82 CYP1A2 (0.47) ALDH1A1HIF1ATDP1CYP3A4TSHR
SCHEMBL15679142 0.81 ALDH1A1 (0.56) ALDH1A1HIF1ATDP1GAATSHR
SCHEMBL20560276 0.81 ALDH1A1 (0.56) ALDH1A1HIF1ATDP1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECH LIMITED (GB) 2026-05-21 US disclosed
EP-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS NEXYS THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer NEXYS THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
US-20240262795-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2024-08-08 US disclosed
EP-4370506-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 Biomea Fusion, Inc. (US) 2024-05-22 EP disclosed
CN-114437062-B Compound capable of being used as sodium channel regulator and application thereof 成都海博为药业有限公司 2024-05-17 CN disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed
US-11945785-B2 Pyrazine compounds as inhibitors of FLT3 BIOMEA FUSION, INC. (US) 2024-04-02 US disclosed
EP-3902796-B1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS INC (US) 2024-02-07 EP disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed
US-4486355-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-12-04 US disclosed
US-4385070-A CYCLOPROPANE DERIVATIVES AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-24 US disclosed
EP-0016513-B1 ESTERS OF HALOGENATED SUBSTITUTED CYCLOPROPANOIC ACIDS, THEIR PREPARATION AND USE AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-06-23 EP disclosed
EP-0032121-A2 Substituted tetrafluorobenzyl alcohols and halides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-15 EP disclosed
EP-0016513-A2 Esters of halogenated substituted cyclopropanoic acids, their preparation and use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-10-01 EP 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 (5 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-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer TGFBR1, TGFBR2, ACVR1 ALDH1A1 419/4885HIF1A 1093/4885TDP1 1703/4885
US-20240262795-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 FLT3, MCL1, CSF3R ALDH1A1 2067/4885HIF1A 4038/4885TDP1 1169/4885
US-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, KRAS, O60361 ALDH1A1 999/4885HIF1A 3360/4885TDP1 1531/4885
US-11945785-B2 Pyrazine compounds as inhibitors of FLT3 FLT3, MCL1, JAK2 ALDH1A1 1320/4885HIF1A 3554/4885TDP1 1238/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 ALDH1A1 455/4885HIF1A 332/4885TDP1 2714/4885

“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.