SCHEMBL11919035

SCHEMBL11919035

CCc1cnc(-c2ccc[nH]2)nc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.36
▸ HSF1 Q00613 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ CDK2 P24941 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HPGDS O60760 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL15219273 0.79 KDM4C (0.38) IDO1HSF1KDM4CMETAP2HPGDS
SCHEMBL23416935 0.75 KDM4C (0.38) IDO1KDM4CNPC1RAB9ASMN1; SMN2
SCHEMBL11916028 0.74 KDM4C (0.35) HSF1KDM4CHDAC1HDAC6CDK5
SCHEMBL442421 0.73 KDM4C (0.46) HSF1KDM4CKDM4ETGFBR1HDAC1
SCHEMBL1687476 0.71 HDAC1 (0.44) CDK2METAP2TP53NPC1RAB9A
SCHEMBL2804255 0.70 KDM4C (0.40) HSF1KDM4CTGFBR1HDAC1HDAC6
SCHEMBL20364675 0.68 SMN1; SMN2 (0.58) TP53NPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL17694181 0.68 KDM4C (0.40) HSF1KDM4CNPC1RAB9AHDAC1
SCHEMBL27514733 0.68 KDM4C (0.34) KDM4CHDAC1HDAC6
SCHEMBL20852325 0.68 PRMT5 (0.37) HPGDSHDAC1HDAC6

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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 IDO1 4719/4885HSF1 3672/4885KDM4C 3094/4885

“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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