SCHEMBL5129980

SCHEMBL5129980

Cc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3ccncc3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 9/20 0.47
PDE5A O76074 3/20 0.44
PTGS1 P23219 1/20 0.44
TBXAS1 P24557 1/20 0.44
PTGS2 P35354 1/20 0.44
USP1 O94782 1/20 0.42
WDR48 Q8TAF3 1/20 0.42
CLK4 Q9HAZ1 3/20 0.41
DYRK1A Q13627 2/20 0.40
CHEK1 O14757 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL5128113 0.89 PRKCI (0.47) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL5124549 0.89 PDE5A (0.47) PRKCIPDE5A
SCHEMBL5117281 0.88 CLK4 (0.55) PDE5APTGS1TBXAS1PTGS2USP1
SCHEMBL5116044 0.88 PRKCI (0.64) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL8184850 0.86 FYN (0.47) PDE5AUSP1WDR48CLK4FLT3
SCHEMBL5129501 0.86 PRKCI (0.50) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL5129584 0.85 USP1 (0.49) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL5113677 0.84 PDE5A (0.62) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL8179480 0.84 CLK4 (0.41) USP1WDR48CLK4DYRK1ARPS6KB1
SCHEMBL5128521 0.84 ADORA2A (0.49) USP1WDR48CLK4DYRK1ACLK2

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 4 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

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 PRKCI 1513/4885PDE5A 2002/4885PTGS1 1420/4885

“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.