SCHEMBL8964313

SCHEMBL8964313

CN1CCC(N2CCN(c3cccc(C(=O)c4cncc(Br)c4)n3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.49
L3MBTL3 Q96JM7 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
L3MBTL4 Q8NA19 2/20 0.47
PRKCQ Q04759 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
HTT P42858 4/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.38
MBTD1 Q05BQ5 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 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
SCHEMBL15930667 0.91 L3MBTL3 (0.49) HSD17B14L3MBTL3L3MBTL1L3MBTL4PRKCQ
SCHEMBL8964576 0.89 L3MBTL3 (0.57) HSD17B14L3MBTL3L3MBTL1L3MBTL4PRKCQ
SCHEMBL8964827 0.88 L3MBTL3 (0.56) HSD17B14L3MBTL3L3MBTL1L3MBTL4HRH3
SCHEMBL8963966 0.86 HSD17B14 (0.55) HSD17B14PRKCQHTTALOX15ALDH1A1
SCHEMBL9010620 0.82 PRKCQ (0.54) HSD17B14PRKCQ
SCHEMBL8964283 0.80 HSD17B14 (0.45) HSD17B14L3MBTL3L3MBTL1HTTALOX15
SCHEMBL8964520 0.78 HTT (0.49) HSD17B14L3MBTL3L3MBTL1PRKCQHRH3
SCHEMBL8964433 0.77 HSD17B14 (0.44) HSD17B14PRKCQHRH3HTTALOX15
SCHEMBL8964454 0.77 HSD17B14 (0.42) HSD17B14PRKCQHTTALOX15ALDH1A1
SCHEMBL8964288 0.77 PIM1 (0.45) HSD17B14L3MBTL3L3MBTL1PRKCQHTT

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 2 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-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885L3MBTL3 2612/4885L3MBTL1 2582/4885

“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.