SCHEMBL5128902

SCHEMBL5128902

O=[N+]([O-])c1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3cnccn3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.43
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ADORA1 P30542 1/20 0.38
USP1 O94782 3/20 0.37
WDR48 Q8TAF3 3/20 0.37
PDE5A O76074 4/20 0.36
STAT3 P40763 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LIMK1 P53667 2/20 0.33
LIMK2 P53671 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33

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
SCHEMBL5127403 0.90 PDE5A (0.46) PDE5A
SCHEMBL5115046 0.88 NPC1 (0.44) ADORA2AADORA1USP1WDR48PDE5A
SCHEMBL5120999 0.88 HTT (0.42) ADORA2AADORA1USP1WDR48PDE5A
SCHEMBL5115469 0.87 PDE5A (0.48) ADORA2ACLK4ADORA1USP1WDR48
SCHEMBL5128405 0.86 MAPT (0.41) ADORA2ADYRK1ACLK4ADORA1USP1
SCHEMBL5124385 0.86 ADORA2A (0.48) ADORA2ADYRK1ACLK4ADORA1USP1
SCHEMBL5128933 0.86 PDE5A (0.49) ADORA2AADORA1PDE5AMEN1KMT2A
SCHEMBL5127916 0.86 PDE5A (0.52) DYRK1ACLK4USP1WDR48PDE5A
SCHEMBL5129346 0.85 MEN1 (0.42) MEN1KMT2AATMNPC1RAB9A
SCHEMBL5122225 0.85 PRKCI (0.42) DYRK1ACLK4USP1WDR48PDE5A

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 4 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
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 ADORA2A 1406/4885DYRK1A 467/4885CLK4 2791/4885

“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.