SCHEMBL5118869

SCHEMBL5118869

Cc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-n3cncn3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.43
PDE5A O76074 5/20 0.40
CLK4 Q9HAZ1 2/20 0.39
PDE2A O00408 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
PPP1CA P62136 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 3/20 0.37
KDM4E B2RXH2 2/20 0.37
EGFR P00533 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE10A Q9Y233 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL5116188 0.94 PDE5A (0.45) PDE5AALDH1A1TSHRNPSR1USP2
SCHEMBL5129723 0.90 ICAM1 (0.41) CHRM4PDE5ACLK4PDE2AALDH1A1
SCHEMBL5128939 0.89 PDE5A (0.40) CHRM4PDE5ACLK4PDE2AALDH1A1
SCHEMBL5119784 0.86 USP1 (0.40) CHRM4PDE5ACLK4PDE2AALDH1A1
SCHEMBL5122542 0.86 CHRM4 (0.42) CHRM4PDE5ACLK4PDE2AALDH1A1
SCHEMBL5117638 0.85 ALDH1A1 (0.47) CHRM4PDE5ACLK4PDE2AALDH1A1
SCHEMBL5122862 0.85 BCDIN3D (0.45) PDE5AALDH1A1TSHRNPSR1USP2
SCHEMBL5123224 0.85 NOS2 (0.50) CHRM4PDE5A
SCHEMBL5128183 0.85 MEN1 (0.40) CHRM4PDE5ACLK4PDE2AALDH1A1
SCHEMBL5123483 0.85 PDE10A (0.37) PDE10A

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 8 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
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO 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 CHRM4 4573/4885PDE5A 2002/4885CLK4 2791/4885

“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.