Sugi Predict

Sugi Predict / Compounds / SCHEMBL8964080

SCHEMBL8964080

SCHEMBL8964080

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 1/20 0.48
▸ HSD17B14 Q9BPX1 2/20 0.42
▸ PRKCQ Q04759 1/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ HTT P42858 4/20 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
▸ PHF13 Q86YI8 1/20 0.39
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36

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 0.91 HSD17B14 (0.42) CACNA1IHSD17B14PRKCQDRD3HRH4
SCHEMBL8964288 0.89 PIM1 (0.45) HSD17B14PRKCQDRD3HRH4HTT
SCHEMBL8964520 0.89 HTT (0.49) HSD17B14PRKCQDRD3HRH4HTT
SCHEMBL8963598 0.86 PRKCQ (0.46) HSD17B14PRKCQDRD3ALDH1A1DRD2
SCHEMBL8964479 0.85 CASP1 (0.47) HSD17B14DRD3HRH4HTTMAPT
SCHEMBL8963966 0.85 HSD17B14 (0.55) HSD17B14PRKCQHTTMAPTALDH1A1
SCHEMBL8964283 0.85 HSD17B14 (0.45) HSD17B14DRD3HRH4HTTMAPT
SCHEMBL13857183 0.84 PRKCQ (0.45) CACNA1IHSD17B14PRKCQDRD3DRD2
SCHEMBL8964454 0.83 HSD17B14 (0.42) HSD17B14PRKCQDRD3HRH4HTT
SCHEMBL8964294 0.83 CASP1 (0.48) HSD17B14HTTMAPTALDH1A1HPGD

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 CACNA1I 4637/4885HSD17B14 2544/4885PRKCQ 38/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CACNA1I 4637/4885HSD17B14 2544/4885PRKCQ 38/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CACNA1I 4637/4885HSD17B14 2544/4885PRKCQ 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.