SCHEMBL5123672

SCHEMBL5123672

O=[N+]([O-])c1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-n3cncn3)nc2s1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
ATM Q13315 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PDE5A O76074 3/20 0.35
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
AURKA O14965 2/20 0.33
RPS6KB1 P23443 2/20 0.33
CTSL P07711 4/20 0.33
CTSB P07858 1/20 0.32
NPC1 O15118 1/20 0.32
JAK2 O60674 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5130626 0.90 PDE5A (0.47) PDE5A
SCHEMBL5121860 0.87 HTT (0.40) HSP90AA1ATMPDE10APDE5AHTT
SCHEMBL5116459 0.87 PDE5A (0.47) PDE10APDE5AHTT
SCHEMBL5123475 0.86 USP1 (0.37) PDE5AUSP1WDR48AURKARPS6KB1
SCHEMBL5128183 0.86 MEN1 (0.40) PDE10APDE5ANPSR1
SCHEMBL5125114 0.86 PDE10A (0.38) PDE10APDE5AUSP1WDR48AURKA
SCHEMBL5119927 0.85 PDE5A (0.51) PDE5A
SCHEMBL5122242 0.85 PDE5A (0.46) PDE5AJAK2
SCHEMBL5129978 0.85 TNF (0.41) PDE5A
SCHEMBL5124288 0.84 PDE5A (0.44) PDE5ANPC1RAB9ASMN1; SMN2NPSR1

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 HSP90AA1 2262/4885ATM 1043/4885PDE10A 3363/4885

“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.