SCHEMBL5116085

SCHEMBL5116085

Cc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-n3ccnc3C)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.37
ADORA3 P0DMS8 2/20 0.36
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
GAA P10253 1/20 0.35
CLK4 Q9HAZ1 3/20 0.35
DYRK1A Q13627 2/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
WDR5 P61964 3/20 0.34
CDK1 P06493 1/20 0.34
CTSL P07711 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
SCHEMBL5129989 0.92 ADORA3 (0.36) TRPV1ADORA3USP1WDR48GAA
SCHEMBL5123316 0.90 BCDIN3D (0.42)
SCHEMBL5120669 0.90 ICAM1 (0.41) ADORA3USP1WDR48GAACLK4
SCHEMBL5129284 0.88 USP1 (0.41) TRPV1ADORA3USP1WDR48CLK4
SCHEMBL5120277 0.86 RAB9A (0.36) ADORA3USP1WDR48WDR5
SCHEMBL5116315 0.86 NR3C2 (0.40)
SCHEMBL7609413 0.86 EGFR (0.43)
SCHEMBL5116294 0.85 CHRM4 (0.42) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL5117009 0.85 RAB9A (0.48)
SCHEMBL5118731 0.83 GAA (0.42) ADORA3GAACLK4DYRK1ACLK1

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
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 TRPV1 4513/4885ADORA3 1252/4885USP1 2251/4885

“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.