SCHEMBL7010123

SCHEMBL7010123

Cc1sc2nc(-c3ccc(C(=O)O)cc3)nc(NCc3ccc4c(c3)OCO4)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.49
CFTR P13569 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD17B10 Q99714 3/20 0.45
USP2 O75604 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CHRM4 P08173 2/20 0.44
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL8171936 0.91 PDE5A (0.48) PDE5ACFTRPKMSMN1; SMN2MEN1
SCHEMBL8177394 0.91 PRKCI (0.46) CFTRPKMSMN1; SMN2MEN1ALDH1A1
SCHEMBL8185820 0.91 HSD17B10 (0.49) PDE5APKMSMN1; SMN2MEN1ALDH1A1
SCHEMBL5123656 0.87 PRKCI (0.58) MEN1ALDH1A1LMNAKMT2AHSD17B10
SCHEMBL8177887 0.86 PRKCI (0.46) CFTRSMN1; SMN2ALDH1A1LMNACHRM4
SCHEMBL7013836 0.85 PDE5A (0.52) PDE5ACFTRPKMSMN1; SMN2MEN1
SCHEMBL7015745 0.84 PTGS2 (0.53) PDE5ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6216963 0.84 ALDH1A1 (0.51) PDE5APKMSMN1; SMN2MEN1ALDH1A1
SCHEMBL8180806 0.83 FYN (0.46) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
SCHEMBL8184718 0.83 FLT3 (0.51) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP claimed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US claimed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed