SCHEMBL5115005

SCHEMBL5115005

Cc1sc2nc(-n3ccnc3C)nc(NCc3ccc4c(c3)OCO4)c2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.41
PDE5A O76074 7/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 4/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
PPP1CA P62136 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL5119537 0.95 CHRM4 (0.42) CHRM4PDE5AALDH1A1SMN1; SMN2MEN1
SCHEMBL5122439 0.92 PDE5A (0.39) CHRM4PDE5AALDH1A1SMN1; SMN2MEN1
SCHEMBL5121556 0.91 PDE5A (0.41) CHRM4PDE5AALDH1A1SMN1; SMN2LMNA
SCHEMBL5114161 0.86 ALDH1A1 (0.47) CHRM4PDE5AALDH1A1SMN1; SMN2MEN1
SCHEMBL5117243 0.86 ADORA3 (0.36) ALDH1A1LMNAKDM4ECLK4GAA
SCHEMBL5123708 0.85 PDE5A (0.43) PDE5AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5128272 0.85 NOS2 (0.51)
SCHEMBL5780791 0.85 HTT (0.48) PDE5AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5124435 0.84 CHRM4 (0.41) CHRM4PDE5AALDH1A1SMN1; SMN2MEN1
SCHEMBL5115267 0.84 ALDH1A1 (0.44) PDE5AALDH1A1SMN1; SMN2MEN1KMT2A

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 7 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
EP-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP 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 2002/4885ALDH1A1 1055/4885

“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.