SCHEMBL5122850

SCHEMBL5122850

Clc1cc2c(NCc3ccc4c(c3)OCO4)nc(-n3cncn3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PDE2A O00408 2/20 0.42
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE1C Q14123 2/20 0.42

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
SCHEMBL5128939 0.94 PDE5A (0.40) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5122859 0.91 BCDIN3D (0.43) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5116188 0.89 PDE5A (0.45) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5124009 0.88 PDE5A (0.43) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5127805 0.86 USP1 (0.46) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5117435 0.86 MAPT (0.44) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5115231 0.85 NOS2 (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5124288 0.85 PDE5A (0.44) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5125114 0.84 PDE10A (0.38) PDE5ACLK4CLK1CLK2DYRK1A
SCHEMBL5128280 0.84 CHRM4 (0.41) PDE5AMEN1KMT2AALDH1A1SMN1; 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 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 2002/4885MEN1 696/4885KMT2A 388/4885

“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.