SCHEMBL8964208

SCHEMBL8964208

CN1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.64
HSD17B14 Q9BPX1 2/20 0.55
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIM2 Q9P1W9 4/20 0.44
PIM1 P11309 2/20 0.44
HTR3E A5X5Y0 3/20 0.43
HTR3B O95264 3/20 0.43
HTR3A P46098 3/20 0.43
HTR3D Q70Z44 3/20 0.43
HTR3C Q8WXA8 3/20 0.43
PRKCA P17252 2/20 0.43
PRKCD Q05655 2/20 0.43

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 0.87 PRKCQ (0.48) PRKCQHSD17B14ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8964546 0.86 PRKCQ (0.48) PRKCQHSD17B14ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8964532 0.86 PRKCQ (0.48) PRKCQHSD17B14ALDH1A1TSHRKDM4E
SCHEMBL8963417 0.84 PRKCQ (0.46) PRKCQHSD17B14ALDH1A1TSHRKDM4E
SCHEMBL8963549 0.84 REV1 (0.48) PRKCQHSD17B14ALDH1A1CYP3A4KDM4E
SCHEMBL8963489 0.84 CKS1B (0.47) PRKCQHSD17B14ALDH1A1CYP3A4KDM4E
SCHEMBL8963170 0.84 PRKCQ (0.46) PRKCQHSD17B14ALDH1A1CYP1A2CYP3A4
SCHEMBL8963598 0.84 PRKCQ (0.46) PRKCQHSD17B14ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8963556 0.84 ALDH1A1 (0.57) PRKCQALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL8963966 0.84 HSD17B14 (0.55) PRKCQHSD17B14ALDH1A1CYP1A2CYP3A4

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 3 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
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 (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 PRKCQ 38/4885HSD17B14 2544/4885ALDH1A1 4211/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885HSD17B14 2544/4885ALDH1A1 4211/4885

“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.