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SCHEMBL8964454

SCHEMBL8964454

O=C(c1cncc(Br)c1)c1cccc(N2CCCN(CC3CC3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B14 Q9BPX1 2/20 0.42
▸ MELK Q14680 1/20 0.39
▸ HSD11B1 P28845 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ CASP5 P51878 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PRKCQ Q04759 2/20 0.38
▸ DRD3 P35462 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ KDM2B Q8NHM5 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ LMNA P02545 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
SCHEMBL8964520 0.88 HTT (0.49) HSD17B14HSD11B1HTTMAPTALDH1A1
SCHEMBL8964288 0.87 PIM1 (0.45) HSD17B14HTTMAPTALDH1A1HPGD
SCHEMBL8964529 0.86 PRKCQ (0.44) HSD17B14MELKHSD11B1ALDH1A1KDM4E
SCHEMBL8964294 0.85 CASP1 (0.48) HSD17B14HSD11B1HTTMAPTALDH1A1
SCHEMBL8964552 0.85 HSD17B14 (0.42) HSD17B14HSD11B1HTTMAPTALDH1A1
SCHEMBL8964479 0.83 CASP1 (0.47) HSD17B14HTTMAPTALDH1A1HPGD
SCHEMBL8964080 0.83 CACNA1I (0.48) HSD17B14HTTMAPTALDH1A1HPGD
SCHEMBL8970131 0.83 PRKCQ (0.50) MELKPRKCQ
SCHEMBL13857185 0.83 PRKCQ (0.44) HSD17B14MELKHSD11B1MAPTCASP1
SCHEMBL8963966 0.82 HSD17B14 (0.55) HSD17B14HSD11B1HTTMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 — — US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 — — US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 — — US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 — — 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 (3 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885MELK 396/4885HSD11B1 3452/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885MELK 396/4885HSD11B1 3452/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885MELK 396/4885HSD11B1 3452/4885

“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.