SCHEMBL8963417

SCHEMBL8963417

CC(C)C(=O)N1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B14 Q9BPX1 2/20 0.43
SMO Q99835 1/20 0.41
MAP4K4 O95819 1/20 0.40
PRKCA P17252 2/20 0.40
PRKCD Q05655 2/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 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
SCHEMBL8963072 0.89 PRKCQ (0.48) PRKCQALDH1A1SMN1; SMN2KDM4EHSD17B14
SCHEMBL8963170 0.86 PRKCQ (0.46) PRKCQALDH1A1SMN1; SMN2KDM4EHSD17B14
SCHEMBL8963489 0.86 CKS1B (0.47) PRKCQALDH1A1SMN1; SMN2KDM4EHSD17B14
SCHEMBL8963549 0.86 REV1 (0.48) PRKCQALDH1A1SMN1; SMN2KDM4EHSD17B14
SCHEMBL8963556 0.85 ALDH1A1 (0.57) PRKCQALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL8964546 0.85 PRKCQ (0.48) PRKCQALDH1A1SMN1; SMN2KDM4EHSD17B14
SCHEMBL8964005 0.85 HSD17B14 (0.43) PRKCQALDH1A1SMN1; SMN2KDM4EHSD17B14
SCHEMBL8963416 0.84 KDM4E (0.46) PRKCQALDH1A1SMN1; SMN2KDM4EHSD17B14
SCHEMBL8963376 0.84 PRKCQ (0.45) PRKCQALDH1A1SMN1; SMN2KDM4EHSD17B14
SCHEMBL8964208 0.84 PRKCQ (0.64) PRKCQALDH1A1SMN1; SMN2KDM4EHSD17B14

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 38/4885ALDH1A1 4211/4885SMN1; SMN2 1649/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885SMN1; SMN2 1649/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885SMN1; SMN2 1649/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885SMN1; SMN2 1649/4885

“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.