SCHEMBL19501369

SCHEMBL19501369

CC(C)c1ccc(Cn2cccnc2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KLKB1 P03952 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ F2R P25116 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ VEGFA P15692 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ USP1 O94782 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL19513462 0.83 MAPT (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11704469 0.80 ALDH1A1 (0.46) RAB9AMAPTEGLN1
SCHEMBL17540820 0.76 POLB (0.54) KLKB1MAPTCACNA1GCACNA1HCACNA1I
SCHEMBL11687658 0.76 CYP19A1 (0.50) KMT2AEGLN1FAAH
SCHEMBL2524368 0.75 DGAT1 (0.44) KMT2AKLKB1MAPTVEGFAEGLN1
SCHEMBL19501367 0.74 EGLN1 (0.53) MAPTVEGFAEGLN1POLBPKM
SCHEMBL10022388 0.73 LMNA (0.65) KMT2APOLB
SCHEMBL21201591 0.73 NPBWR1 (0.40) KLKB1MAPTF2RNOTUMNPBWR1
SCHEMBL9963192 0.72 BRD4 (0.40) NPC1RAB9AMAPTPOLB
SCHEMBL12278150 0.71 GAA (0.59) KMT2AMEN1NPC1KLKB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-09-22 — — US disclosed
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 — — US disclosed
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 (2 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 KMT2A 389/4885MEN1 816/4885NPC1 1147/4885
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 KMT2A 389/4885MEN1 816/4885NPC1 1147/4885

“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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