SCHEMBL5123483

SCHEMBL5123483

Cc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-n3cncn3)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.37
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
CTSL P07711 6/20 0.36
GAA P10253 1/20 0.35
BCDIN3D Q7Z5W3 4/20 0.35
CDK1 P06493 1/20 0.35
CTSB P07858 1/20 0.34
TGFBR1 P36897 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 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
SCHEMBL5125114 0.90 PDE10A (0.38) PDE10AUSP1WDR48CTSLGAA
SCHEMBL5129152 0.90 BCDIN3D (0.45) BCDIN3D
SCHEMBL5123302 0.88 ICAM1 (0.43) PDE10AUSP1WDR48CTSLGAA
SCHEMBL5123695 0.86 HRH4 (0.39) PDE10A
SCHEMBL7617169 0.85 EGFR (0.44) PDE10A
SCHEMBL5119829 0.85 USP1 (0.43) PDE10AUSP1WDR48CTSLCDK1
SCHEMBL5119057 0.85 USP1 (0.40) USP1WDR48CTSLGAABCDIN3D
SCHEMBL5118869 0.85 CHRM4 (0.43) PDE10A
SCHEMBL5115157 0.84 ADORA2A (0.42) PDE10ACTSLGAA
SCHEMBL5128545 0.84 PDE10A (0.36) PDE10ACTSLGAABCDIN3DCDK1

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 PDE10A 3363/4885USP1 2251/4885WDR48 1634/4885

“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.