SCHEMBL5779424

SCHEMBL5779424

Fc1ccc(CNc2nc(Cl)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HTT P42858 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PTGS2 P35354 2/20 0.53
PDE5A O76074 1/20 0.53
PRKCI P41743 7/20 0.52
FGFR1 P11362 1/20 0.49
PARP14 Q460N5 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7168076 0.96 MAPT (0.56) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8205598 0.89 PDE5A (0.66) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7170254 0.85 PDE5A (0.61) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7017142 0.85 HTT (0.56) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5779918 0.82 PRKCI (0.74) PRKCI
SCHEMBL7174355 0.81 HTT (0.53) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7407521 0.81 MAPT (0.54) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7016164 0.81 HTT (0.52) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5802365 0.81 MEN1 (0.54) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7012571 0.81 MEN1 (0.52) MAPTMEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP 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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed