SCHEMBL8964552

SCHEMBL8964552

CC(C)(C)CN1CCCN(c2cccc(C(=O)c3cncc(Br)c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.42
HTT P42858 5/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
PRKCQ Q04759 1/20 0.39
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD3 P35462 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL8964080 0.91 CACNA1I (0.48) HSD17B14HTTMAPTALDH1A1HPGD
SCHEMBL8964520 0.90 HTT (0.49) HSD17B14HTTMAPTALDH1A1HPGD
SCHEMBL8964288 0.87 PIM1 (0.45) HSD17B14HTTMAPTALDH1A1HPGD
SCHEMBL8964688 0.85 PRKCQ (0.46) HSD17B14ALDH1A1HPGDPRKCQSMN1; SMN2
SCHEMBL8964454 0.85 HSD17B14 (0.42) HSD17B14HTTMAPTALDH1A1HPGD
SCHEMBL8964294 0.85 CASP1 (0.48) HSD17B14HTTMAPTALDH1A1HPGD
SCHEMBL8963966 0.84 HSD17B14 (0.55) HSD17B14HTTMAPTALDH1A1HPGD
SCHEMBL8964092 0.84 CKS1B (0.46) HSD17B14HTTMAPTALDH1A1HPGD
SCHEMBL8964479 0.83 CASP1 (0.47) HSD17B14HTTMAPTALDH1A1HPGD
SCHEMBL8970120 0.83 PRKCQ (0.52) HSD17B14MAPTALDH1A1PRKCQSMN1; SMN2

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 HSD17B14 2544/4885HTT 983/4885MAPT 770/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HSD17B14 2544/4885HTT 983/4885MAPT 770/4885

“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.