SCHEMBL19513462

SCHEMBL19513462

Cc1ccc(Cn2cccnc2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.56
▸ TP53 P04637 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ POLB P06746 3/20 0.48
▸ PKM P14618 1/20 0.47
▸ KAT2B Q92831 1/20 0.47
▸ LMNA P02545 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ CYP11B1 P15538 2/20 0.46
▸ CYP11B2 P19099 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ CYP19A1 P11511 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43

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
SCHEMBL11704469 0.84 ALDH1A1 (0.46) MAPTSMN1; SMN2RAB9AKAT2BHTT
SCHEMBL19501369 0.83 KMT2A (0.43) MAPTNPC1RAB9APOLBPKM
SCHEMBL11687658 0.76 CYP19A1 (0.50) CYP19A1GAAKMT2A
SCHEMBL2524368 0.76 DGAT1 (0.44) MAPTTP53SMN1; SMN2POLBKAT2B
SCHEMBL16891528 0.74 MAPT (0.61) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL15332032 0.73 KLKB1 (0.37) MAPTTP53SMN1; SMN2RAB9APOLB
SCHEMBL19513364 0.72 MAPT (0.70) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL10070297 0.72 — —
SCHEMBL169675 0.72 LMNA (0.68) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL2523932 0.72 DGAT1 (0.41) MAPTTP53SMN1; SMN2POLBKAT2B

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-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 — — 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-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 MAPT 4519/4885TP53 4804/4885SMN1; SMN2 3724/4885

“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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