SCHEMBL29904751

SCHEMBL29904751

CNS(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 8/20 0.61
CDK9 P50750 8/20 0.61
ALK Q9UM73 5/20 0.61
INSR P06213 2/20 0.61
MET P08581 2/20 0.61
CDC7 O00311 1/20 0.61
PLK4 O00444 1/20 0.61
CHEK1 O14757 1/20 0.61
AURKA O14965 1/20 0.61
DCLK1 O15075 1/20 0.61
MAPK13 O15264 1/20 0.61
PDPK1 O15530 1/20 0.61
DYRK3 O43781 1/20 0.61
JAK2 O60674 1/20 0.61
ROCK2 O75116 1/20 0.61
RPS6KA5 O75582 1/20 0.61
PRKD3 O94806 1/20 0.61
MAP4K4 O95819 1/20 0.61
PAK4 O96013 1/20 0.61
CHEK2 O96017 1/20 0.61

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
SCHEMBL375003 1.00 CDK7 (0.61) CDK7CDK9ALKINSRMET
Benzamide SCHEMBL2061396 0.89 ALK (0.52) CDK7CDK9ALKINSRMET
SCHEMBL12856163 0.87 ALK (0.51) CDK7CDK9ALKINSRMET
SCHEMBL4101888 0.87 CDK7 (0.59) CDK7CDK9ALKINSRMET
SCHEMBL12780295 0.87 ALK (0.48) CDK7CDK9ALKINSRMET
SCHEMBL375360 0.87 ZAP70 (0.61) CDK7CDK9ALKINSRMET
SCHEMBL12570609 0.87 ALK (0.67) CDK7CDK9ALKINSRMET
SCHEMBL31512671 0.86 ALK (0.71) CDK7CDK9ALKINSRMET
SCHEMBL2061222 0.86 ALK (0.71) CDK7CDK9ALKINSRMET
SCHEMBL375081 0.86 ALK (0.52) CDK7CDK9ALKINSRMET

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-4464699-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF Lisen Therapeutics, Inc. (US) 2024-11-20 EP disclosed
US-20240360145-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF LISEN THERAPEUTICS, INC. 2024-10-31 US disclosed
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed
CN-117120424-A Pyrimidine derivatives having protein kinase inhibitory activity and therapeutic combinations comprising the same 泰拉佩克斯有限公司 2023-11-24 CN disclosed
CN-116444488-A Pyrimidine-2, 4-diamine derivative and preparation method and application thereof 上海立森印迹医药技术有限公司 2023-07-18 CN disclosed
WO-2022211573-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2022-10-06 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 (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-20240360145-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF DPYD, TYMP, TYMS CDK7 235/4885CDK9 979/4885ALK 2090/4885

“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.