SCHEMBL15074564

SCHEMBL15074564

NC(=O)c1c(N)n[nH]c1-c1ccc(-c2ccccc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NQO2 P16083 1/20 0.43
▸ CDC7 O00311 6/20 0.42
▸ RPS6KA3 P51812 1/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ PRKCB P05771 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK9 P50750 1/20 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
SCHEMBL24442343 0.73 PIK3CD (0.52) RPS6KA3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15070791 0.73 MEN1 (0.43) NQO2CDC7CCNA2CDK2CCNA1
SCHEMBL28849703 0.68 KMT2A (0.46) MAPK1NPSR1CDC7RPS6KA3CCNA2
SCHEMBL27884299 0.68 NQO2 (0.51) NQO2CDC7CCNA2CDK2CCNA1
SCHEMBL12906820 0.67 RAB9A (0.52) CDC7CCNA2CDK2CCNA1BRD4
SCHEMBL25891692 0.66 GAA (0.47) NPSR1CDK2CDK1GSK3BKDM4E
SCHEMBL1536003 0.66 NOTUM (0.56) NPSR1NQO2KDM4EHSD17B10NPC1
SCHEMBL7452411 0.65 MLKL (0.40) MAPK1NPSR1CDC7RPS6KA3CCNA2
SCHEMBL8684331 0.64 MAPK1 (0.63) MAPK1NPSR1RPS6KA3IKBKBJAK2
SCHEMBL17883343 0.64 KDM4E (0.74) NQO2CDC7CCNA2CDK2CCNA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 — — 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B MAPK1 1586/4885NPSR1 3196/4885NQO2 1469/4885

“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.

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