SCHEMBL5124591

SCHEMBL5124591

Cc1nccn1-c1nc(NCc2cccc([N+](=O)[O-])c2)c2cc(C(F)(F)F)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.41
MET P08581 7/20 0.40
POLB P06746 2/20 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
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KCNN3 Q9UGI6 1/20 0.39
TDO2 P48775 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
KCNH2 Q12809 1/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5124980 0.89 PDE5A (0.44) PDE5AMETPOLBPDE4APDE4B
SCHEMBL5122163 0.89 PDE5A (0.42) PDE5APOLBPDE4APDE4BPDE4C
SCHEMBL5128625 0.88 PDE5A (0.44) PDE5AMETPOLBPDE4APDE4B
SCHEMBL5118528 0.88 PDE5A (0.43) PDE5AMETPOLBPDE4APDE4B
SCHEMBL5115394 0.86 ICAM1 (0.41) PDE5APDE3BPDE3AEGFR
SCHEMBL5121474 0.84 PDE5A (0.59) PDE5APOLBPDE3BPDE3AKCNN3
SCHEMBL5119286 0.84 PDE5A (0.45) PDE5AMETPOLBPDE4APDE4B
SCHEMBL7618072 0.84 PDE4A (0.45) PDE5AMETPOLBPDE4APDE4B
SCHEMBL5116037 0.82 KDM4E (0.38) MEN1KMT2AEGFRALDH1A1
SCHEMBL5123053 0.82 MEN1 (0.41) PDE5APOLBPDE4APDE4BPDE4C

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 2002/4885MET 1288/4885POLB 1280/4885

“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.