SCHEMBL13857201

SCHEMBL13857201

Cc1ncc(Br)cc1C(=O)c1cccc(N2CCCN(C(=O)CC(F)(F)F)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.42
HSD17B14 Q9BPX1 2/20 0.38
PRKCA P17252 2/20 0.37
PRKCD Q05655 2/20 0.37
SMO Q99835 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
CNR2 P34972 1/20 0.35
CKS1B P61024 2/20 0.35
SKP1 P63208 2/20 0.35
SKP2 Q13309 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35
P2RY12 Q9H244 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1481470 0.90 PRKCQ (0.49) PRKCQHSD17B14PRKCAPRKCDKDM4E
SCHEMBL13857202 0.89 PRKCQ (0.42) PRKCQHSD17B14PRKCAPRKCDSMO
SCHEMBL13857116 0.86 PRKCQ (0.45) PRKCQHSD17B14PRKCAPRKCDSMO
SCHEMBL13857189 0.86 PRKCQ (0.54) PRKCQPRKCAPRKCDSMO
SCHEMBL13857181 0.85 KDM4E (0.51) PRKCQPRKCAPRKCDKDM4EME2
SCHEMBL8970034 0.85 PRKCQ (0.49) PRKCQPRKCAPRKCDHRH4KDM4E
SCHEMBL13857182 0.84 PRKCQ (0.45) PRKCQHSD17B14PRKCAPRKCDSMO
SCHEMBL8964155 0.83 HSD17B14 (0.43) PRKCQHSD17B14HRH4CKS1BSKP1
SCHEMBL13857180 0.82 PRKCQ (0.61) PRKCQHSD17B14PRKCAPRKCD
SCHEMBL13857242 0.80 PRKCQ (0.47) 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 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 PRKCQ 38/4885HSD17B14 2544/4885PRKCA 25/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885HSD17B14 2544/4885PRKCA 25/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885HSD17B14 2544/4885PRKCA 25/4885

“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.