SCHEMBL30461982

SCHEMBL30461982

COc1cc(CNc2nc(Cl)ncc2OC)ccc1-n1nc(C(F)(F)F)cc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.41
▸ ORAI1 Q96D31 2/20 0.41
▸ USP1 O94782 3/20 0.37
▸ PDE5A O76074 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ STAT1 P42224 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ BCDIN3D Q7Z5W3 1/20 0.34

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
SCHEMBL29043911 1.00 STIM1 (0.41) STIM1ORAI1USP1PDE5AGAA
SCHEMBL25184834 0.89 STIM1 (0.48) STIM1ORAI1USP1MAPTSMN1; SMN2
SCHEMBL30414386 0.89 STIM1 (0.48) STIM1ORAI1USP1MAPTSMN1; SMN2
SCHEMBL27174345 0.84 USP1 (0.36) USP1PDE5AMAPTSMN1; SMN2TSHR
SCHEMBL31423506 0.83 APP (0.36) STIM1ORAI1PDE5AGAAMAPT
SCHEMBL31423473 0.82 USP1 (0.54) USP1
SCHEMBL30696367 0.80 PIN1 (0.38) PDE5A
SCHEMBL27174482 0.80 PIN1 (0.38) PDE5A
SCHEMBL30443137 0.80 STIM1 (0.41) STIM1ORAI1USP1TSHRPDE2A
SCHEMBL25192861 0.80 STIM1 (0.41) STIM1ORAI1USP1TSHRPDE2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4741386-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2026-05-13 — — EP disclosed
US-20250289799-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF JIANGSU YAHONG MEDITECH CO., LTD. (CN) 2025-09-18 — — US disclosed
EP-4516779-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2025-03-05 — — EP disclosed
WO-2025007777-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-01-09 — — WO disclosed
CN-118660872-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2024-09-17 — — CN disclosed
CN-116496252-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2023-07-28 — — CN 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 (1 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-20250289799-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF USP1, UPP1, UFL1 STIM1 3647/4885ORAI1 4477/4885USP1 1/4885

“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.

Send feedback