SCHEMBL18153980

SCHEMBL18153980

Cc1nc(Cl)nc(N)c1I

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
TLR8 Q9NR97 2/20 0.31
IDO1 P14902 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL29344559 0.82 ALDH1A1 (0.41) ALDH1A1ALOX15TSHR
SCHEMBL2549272 0.80 ALDH1A1 (0.35) CDK1ALDH1A1ALOX15TSHR
SCHEMBL10043017 0.80 ALDH1A1 (0.35) ALDH1A1ALOX15TSHR
SCHEMBL6474069 0.75 CDK1 (0.35) CDK1ALDH1A1ALOX15TSHRIDO1
SCHEMBL3691752 0.75 TLR8 (0.44) ALDH1A1TLR8LMNA
SCHEMBL19754271 0.75 IDO1 (0.41) CDK1ALDH1A1ALOX15TSHRTLR8
SCHEMBL19984155 0.75 PDE10A (0.38) CDK1ALDH1A1ALOX15TSHRIDO1
SCHEMBL5925922 0.75 TLR8 (0.32) TLR8LMNA
SCHEMBL11775855 0.73 LMNA (0.52) CDK1ALDH1A1ALOX15TSHRTLR8
SCHEMBL30696400 0.73 LMNA (0.52) CDK1ALDH1A1ALOX15TSHRTLR8

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 17 patents. 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-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
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
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
CN-111153901-A Nitrogen-containing fused heterocyclic SHP2 inhibitor compound, preparation method and application 如东凌达生物医药科技有限公司 2020-05-15 CN disclosed
CN-107454898-B Ghrelin O-acyltransferase inhibitors 伊莱利利公司 2020-05-05 CN disclosed
US-10227310-B2 Ghrelin 0-acyl transferase inhibitors ELI LILLY AND COMPANY (US) 2019-03-12 US disclosed
US-10227310-B2 Ghrelin 0-acyl transferase inhibitors ELI LILLY AND COMPANY (US) 2019-03-12 US disclosed
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS ELI LILLY AND COMPANY 2018-03-22 US disclosed
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS ELI LILLY AND COMPANY 2018-03-22 US disclosed
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS ELI LILLY AND COMPANY 2018-03-22 US disclosed
EP-3283474-A1 GHRELIN O-ACYL TRANSFERASE INHIBITORS Eli Lilly and Company (US) 2018-02-21 EP disclosed
WO-2016168225-A1 GHRELIN O-ACYL TRANSFERASE INHIBITORS ELI LILLY AND COMPANY (US) 2016-10-20 WO disclosed
WO-2016168225-A1 GHRELIN O-ACYL TRANSFERASE INHIBITORS ELI LILLY AND COMPANY (US) 2016-10-20 WO 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-10227310-B2 Ghrelin 0-acyl transferase inhibitors MBOAT4, GIPR, PLAAT2 CDK1 3407/4885ALDH1A1 1908/4885ALOX15 2033/4885
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS MBOAT4, GIPR, PLAAT2 CDK1 3407/4885ALDH1A1 1908/4885ALOX15 2033/4885
US-12281118-B2 Nitrogen-containing fused heterocyclic SHP2 inhibitor compound, preparation method, and use PTPN1, PTPN7, PTPN9 CDK1 468/4885ALDH1A1 3157/4885ALOX15 3038/4885
US-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE PTPN1, PTPN7, PTPN9 CDK1 468/4885ALDH1A1 3157/4885ALOX15 3038/4885

“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.