SCHEMBL13857193

SCHEMBL13857193

Cc1ncc(Br)cc1C(=O)c1cncc(N2CCCN(C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.45
PIM2 Q9P1W9 6/20 0.41
PIM1 P11309 2/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
DYRK1A Q13627 1/20 0.35
GBA1 P04062 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PKM P14618 1/20 0.34
HSD17B14 Q9BPX1 1/20 0.34
OPRK1 P41145 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL9013278 0.89 PRKCQ (0.53) PRKCQPIM2PIM1CSNK2A2CSNK2A1
SCHEMBL13857180 0.87 PRKCQ (0.61) PRKCQPIM2PIM1CSNK2A2CSNK2A1
SCHEMBL8964913 0.84 PIM2 (0.45) PRKCQPIM2PIM1CSNK2A2CSNK2A1
SCHEMBL8970028 0.76 PRKCQ (0.71) PRKCQPIM2PIM1HSD17B14
SCHEMBL13857242 0.75 PRKCQ (0.47) PRKCQPIM1KDM4EHSD17B14ALDH1A1
SCHEMBL8963966 0.74 HSD17B14 (0.55) PRKCQPIM2PIM1CSNK2A2CSNK2A1
SCHEMBL13857129 0.73 PRKCQ (0.59) PRKCQPIM2PIM1CSNK2A2CSNK2A1
SCHEMBL13857116 0.73 PRKCQ (0.45) PRKCQGBA1HSD17B14
SCHEMBL13857182 0.73 PRKCQ (0.45) PRKCQHSD17B10HSD17B14OPRK1HPGD
SCHEMBL13857183 0.73 PRKCQ (0.45) PRKCQPIM1HSD17B14

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 38/4885PIM2 415/4885PIM1 425/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PIM2 415/4885PIM1 425/4885

“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.