SCHEMBL8964520

SCHEMBL8964520

CCN1CCCN(c2cccc(C(=O)c3cncc(Br)c3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.49
HSD17B14 Q9BPX1 2/20 0.45
PRKCQ Q04759 1/20 0.42
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 2/20 0.39
DRD3 P35462 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8964552 0.90 HSD17B14 (0.42) HTTMAPTALDH1A1HPGDUSP2
SCHEMBL8964288 0.90 PIM1 (0.45) HTTMAPTALDH1A1HPGDUSP2
SCHEMBL8964080 0.89 CACNA1I (0.48) HTTMAPTALDH1A1HPGDUSP2
SCHEMBL8964294 0.88 CASP1 (0.48) HTTMAPTALDH1A1HPGDUSP2
SCHEMBL8964454 0.88 HSD17B14 (0.42) HTTMAPTALDH1A1HPGDUSP2
SCHEMBL8963966 0.88 HSD17B14 (0.55) HTTMAPTALDH1A1HPGDHSD17B14
SCHEMBL8964479 0.87 CASP1 (0.47) HTTMAPTALDH1A1HPGDUSP2
SCHEMBL8964532 0.85 PRKCQ (0.48) ALDH1A1HSD17B14PRKCQSMN1; SMN2KDM4E
SCHEMBL8964283 0.85 HSD17B14 (0.45) HTTMAPTALDH1A1HPGDUSP2
SCHEMBL8964433 0.85 HSD17B14 (0.44) HTTMAPTALDH1A1HPGDUSP2

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 4 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

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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HTT 983/4885MAPT 770/4885ALDH1A1 4211/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HTT 983/4885MAPT 770/4885ALDH1A1 4211/4885

“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.