SCHEMBL5114902

SCHEMBL5114902

O=[N+]([O-])c1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PDE5A O76074 8/20 0.43
KDM4E B2RXH2 1/20 0.40
ATM Q13315 2/20 0.39
USP1 O94782 2/20 0.39
WDR48 Q8TAF3 2/20 0.39
EGFR P00533 2/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
VCAM1 P19320 1/20 0.37
GBA1 P04062 1/20 0.37
PTGS1 P23219 1/20 0.36
TBXAS1 P24557 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL5128125 0.92 HTT (0.39) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL5116210 0.91 PDE5A (0.50) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL5128648 0.90 MAPT (0.44) KMT2AMAPTPDE5AKDM4EGBA1
SCHEMBL5118457 0.87 USP1 (0.40) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL7505604 0.86 NPC1 (0.40) KMT2AMAPTPDE5AKDM4EGBA1
SCHEMBL5118536 0.85 MEN1 (0.43) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL5128637 0.85 PDE5A (0.45) MEN1KMT2AMAPTALDH1A1PDE5A
SCHEMBL5127500 0.85 MEN1 (0.41) MEN1KMT2AMAPTPDE5AUSP1
SCHEMBL5119410 0.83 PDE5A (0.57) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL5129162 0.83 PDE5A (0.43) MEN1KMT2AMAPTPOLBALDH1A1

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 MEN1 696/4885KMT2A 388/4885MAPT 2997/4885

“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.