SCHEMBL5116188

SCHEMBL5116188

Cc1cc2c(NCc3ccc4c(c3)OCO4)nc(-n3cncn3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.45
ALDH1A1 P00352 5/20 0.43
TSHR P16473 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
PPP1CA P62136 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 2/20 0.42
EGFR P00533 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CREBBP Q92793 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL5118869 0.94 CHRM4 (0.43) PDE5AALDH1A1TSHRNPSR1USP2
SCHEMBL5122862 0.91 BCDIN3D (0.45) PDE5AALDH1A1TSHRNPSR1USP2
SCHEMBL5124009 0.90 PDE5A (0.43) PDE5AALDH1A1TSHRNPSR1USP2
SCHEMBL5122850 0.89 PDE5A (0.45) PDE5AALDH1A1TSHRNPSR1USP2
SCHEMBL5127805 0.86 USP1 (0.46) PDE5AALDH1A1TSHRNPSR1USP2
SCHEMBL7619713 0.86 MAPT (0.44) PDE5AALDH1A1TSHRNPSR1USP2
SCHEMBL5125462 0.85 ALDH1A1 (0.42) PDE5AALDH1A1TSHRNPSR1USP2
SCHEMBL1961334 0.85 NOS2 (0.53)
SCHEMBL5124288 0.85 PDE5A (0.44) PDE5AALDH1A1TSHRNPSR1USP2
SCHEMBL5129723 0.84 ICAM1 (0.41) PDE5AALDH1A1TSHRNPSR1USP2

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 PDE5A 2002/4885ALDH1A1 1055/4885TSHR 1050/4885

“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.