SCHEMBL5124288

SCHEMBL5124288

O=[N+]([O-])c1cc2c(NCc3ccc4c(c3)OCO4)nc(-n3cncn3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.44
MAPT P10636 4/20 0.43
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PDE2A O00408 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
PPP1CA P62136 1/20 0.39
MAPK1 P28482 2/20 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
SCHEMBL5128183 0.95 MEN1 (0.40) PDE5AMAPTPDE4APDE4BPDE4C
SCHEMBL5114933 0.92 BCDIN3D (0.41) PDE5AMAPTALDH1A1NPC1RAB9A
SCHEMBL5115746 0.87 PDE5A (0.43) PDE5AMAPTPDE4APDE4BPDE4C
SCHEMBL5114371 0.86 PDE5A (0.48) PDE5AMAPT
SCHEMBL5116188 0.85 PDE5A (0.45) PDE5AMAPTMEN1KMT2ANPSR1
SCHEMBL5122850 0.85 PDE5A (0.45) PDE5AMAPTPDE4APDE4BPDE4C
SCHEMBL5124009 0.84 PDE5A (0.43) PDE5AMAPTPDE4APDE4BPDE4C
SCHEMBL5123672 0.84 HSP90AA1 (0.36) PDE5ANPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL5121860 0.84 HTT (0.40) PDE5AMAPTMEN1KMT2AALDH1A1
SCHEMBL5116459 0.84 PDE5A (0.47) PDE5AMAPTMEN1KMT2AALDH1A1

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 6 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

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 2002/4885MAPT 2997/4885PDE4A 1952/4885

“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.