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Sugi Predict / Compounds / SCHEMBL8963598

SCHEMBL8963598

SCHEMBL8963598

CC(C)(C)CCN1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 3/20 0.46
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ PIM1 P11309 1/20 0.42
▸ HSD17B14 Q9BPX1 2/20 0.42
▸ PRKCA P17252 2/20 0.40
▸ PRKCD Q05655 2/20 0.40
▸ DRD3 P35462 5/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR1A P08908 4/20 0.39
▸ HTR2A P28223 4/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ HTR2C P28335 1/20 0.38

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
SCHEMBL8964688 0.90 PRKCQ (0.46) PRKCQDRD2DRD4PIM1HSD17B14
SCHEMBL8964532 0.87 PRKCQ (0.48) PRKCQDRD2DRD4PIM1HSD17B14
SCHEMBL8964080 0.86 CACNA1I (0.48) PRKCQDRD2PIM1HSD17B14DRD3
SCHEMBL8964566 0.85 KDM4E (0.48) PRKCQDRD2DRD4PIM1DRD3
SCHEMBL8964208 0.84 PRKCQ (0.64) PRKCQPIM1HSD17B14PRKCAPRKCD
SCHEMBL8964529 0.83 PRKCQ (0.44) PRKCQDRD2PIM1HSD17B14PRKCA
SCHEMBL8963437 0.83 PRKCQ (0.44) PRKCQHSD17B14PRKCAPRKCDKDM4E
SCHEMBL8964942 0.82 MAPT (0.52) KDM4EALDH1A1SMN1; SMN2HSD11B1
SCHEMBL13857219 0.82 PRKCQ (0.57) PRKCQDRD2DRD4PRKCAPRKCD
SCHEMBL8963549 0.81 REV1 (0.48) PRKCQHSD17B14PRKCAPRKCDKDM4E

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 6 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-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 — — 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 (4 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 PRKCQ 38/4885DRD2 4859/4885DRD4 4864/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885DRD2 4859/4885DRD4 4864/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885DRD2 4859/4885DRD4 4864/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885DRD2 4859/4885DRD4 4864/4885

“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.