SCHEMBL5121679

SCHEMBL5121679

O=[N+]([O-])c1cc2c(NCc3ccc(F)cc3)nc(-c3ccccn3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
PDE5A O76074 1/20 0.48
KLKB1 P03952 9/20 0.44
F2 P00734 4/20 0.44
F10 P00742 2/20 0.44
KLK1 P06870 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
HIF1A Q16665 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
USP1 O94782 2/20 0.40
WDR48 Q8TAF3 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5129474 0.93 KMT2A (0.57) MEN1KMT2ANPC1PDE5AABCG2
SCHEMBL5115046 0.88 NPC1 (0.44) MEN1KMT2ANPC1PDE5AABCG2
SCHEMBL5120999 0.88 HTT (0.42) MEN1KMT2APDE5APOLBHTT
SCHEMBL5122316 0.87 PDE5A (0.53) MEN1KMT2ANPC1PDE5AABCG2
SCHEMBL5121441 0.86 MEN1 (0.47) MEN1KMT2ANPC1PDE5AABCG2
SCHEMBL5128646 0.85 MEN1 (0.42) MEN1KMT2ANPC1PDE5AHIF1A
SCHEMBL5128928 0.85 USP1 (0.47) MEN1KMT2ANPC1PDE5AHIF1A
SCHEMBL5129142 0.83 METAP1 (0.59) MEN1KMT2ANPC1PDE5AABCG2
SCHEMBL5127487 0.83 PDE5A (0.47) PDE5A
SCHEMBL5128760 0.83 PDE5A (0.45) MEN1KMT2APDE5APOLBHTT

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 MEN1 696/4885KMT2A 388/4885NPC1 4863/4885

“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.