SCHEMBL5129723

SCHEMBL5129723

CCc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-n3cncn3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
VCAM1 P19320 1/20 0.41
CHRM4 P08173 1/20 0.40
PDE5A O76074 5/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
PPP1CA P62136 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE2A O00408 1/20 0.36
PRKCI P41743 3/20 0.36
PDE10A Q9Y233 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FLT1 P17948 1/20 0.35

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
SCHEMBL5124009 0.94 PDE5A (0.43) ICAM1SELEVCAM1PDE5AALDH1A1
SCHEMBL5118869 0.90 CHRM4 (0.43) CHRM4PDE5ACLK4ALDH1A1USP2
SCHEMBL5128939 0.88 PDE5A (0.40) CHRM4PDE5ACLK4ALDH1A1HPGD
SCHEMBL5119784 0.88 USP1 (0.40) CHRM4PDE5ACLK4ALDH1A1USP2
SCHEMBL5129649 0.86 ICAM1 (0.40) ICAM1SELEVCAM1CHRM4PDE5A
SCHEMBL5123302 0.86 ICAM1 (0.43) ICAM1SELEVCAM1CLK4ALDH1A1
SCHEMBL5116184 0.86 BCDIN3D (0.45) PDE5AALDH1A1USP2HPGDALOX15
SCHEMBL5123228 0.85 NOS2 (0.49) PDE5A
SCHEMBL5116188 0.84 PDE5A (0.45) PDE5AALDH1A1USP2HPGDALOX15
SCHEMBL5128183 0.84 MEN1 (0.40) CHRM4PDE5ACLK4ALDH1A1USP2

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 ICAM1 1914/4885SELE 1976/4885VCAM1 1766/4885

“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.