SCHEMBL8964433

SCHEMBL8964433

CC(C)N1CCCN(c2cccc(C(=O)c3cncc(Br)c3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.44
HRH3 Q9Y5N1 5/20 0.41
PRKCQ Q04759 1/20 0.41
HTT P42858 5/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OGA O60502 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 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
CYP2C9 P11712 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
SCHEMBL8964729 0.88 HSD17B14 (0.43) HSD17B14HRH3PRKCQOGAHSD11B1
SCHEMBL8963966 0.87 HSD17B14 (0.55) HSD17B14PRKCQHTTALOX15ALDH1A1
SCHEMBL8964722 0.86 HSD17B14 (0.43) HSD17B14HRH3PRKCQOGAHSD11B1
SCHEMBL8964005 0.86 HSD17B14 (0.43) HSD17B14PRKCQHTTALOX15ALDH1A1
SCHEMBL8964520 0.85 HTT (0.49) HSD17B14HRH3PRKCQHTTALOX15
SCHEMBL8964546 0.85 PRKCQ (0.48) HSD17B14HRH3PRKCQALDH1A1KDM4E
SCHEMBL8964092 0.82 CKS1B (0.46) HSD17B14PRKCQHTTALOX15ALDH1A1
SCHEMBL8964020 0.82 HSD17B14 (0.43) HSD17B14HRH3PRKCQHTTALOX15
SCHEMBL8970151 0.82 PRKCQ (0.55) HRH3PRKCQOGA
SCHEMBL8964552 0.82 HSD17B14 (0.42) HSD17B14PRKCQHTTALOX15ALDH1A1

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 2544/4885HRH3 2990/4885PRKCQ 38/4885

“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.