SCHEMBL9009930

SCHEMBL9009930

Nc1ncccc1C(=O)c1nc(NC[C@@H](O)c2ccccc2)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
FLT3 P36888 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
CYP2D6 P10635 1/20 0.45
FAAH O00519 13/20 0.43
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
PRKCI P41743 1/20 0.37
NAPRT Q6XQN6 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL9012648 0.90 PRKCQ (0.45) PRKCBPRKCAFLT3PRKCEPRKCQ
SCHEMBL9012777 0.89 PRKCQ (0.44) PRKCBPRKCAFLT3PRKCEPRKCQ
SCHEMBL8967305 0.83 PRKCQ (0.49) PRKCBPRKCAFLT3PRKCEPRKCQ
SCHEMBL9012686 0.82 PRKCQ (0.46) PRKCBPRKCAFLT3PRKCEPRKCQ
SCHEMBL8967284 0.82 PRKCQ (0.50) PRKCBPRKCAFLT3PRKCEPRKCQ
SCHEMBL8967201 0.82 PRKCQ (0.47) PRKCBPRKCAFLT3PRKCEPRKCQ
SCHEMBL8967647 0.82 PRKCQ (0.47) PRKCBPRKCAFLT3PRKCEPRKCQ
SCHEMBL8967013 0.82 PRKCQ (0.47) PRKCBPRKCAFLT3PRKCEPRKCQ
SCHEMBL11993749 0.81 PRKCQ (0.48) PRKCBPRKCAFLT3PRKCEPRKCQ
SCHEMBL8967301 0.81 PRKCQ (0.48) PRKCBPRKCAFLT3PRKCEPRKCQ

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815866-B2 Aminopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-26 US disclosed
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-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-30 US disclosed
US-8377926-B2 Aminopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-19 US disclosed
US-8377926-B2 Aminopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-19 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 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 (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 PRKCB 31/4885PRKCA 25/4885FLT3 330/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCB 31/4885PRKCA 25/4885FLT3 330/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCB 31/4885PRKCA 25/4885FLT3 330/4885
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP4K5 PRKCB 45/4885PRKCA 24/4885FLT3 278/4885

“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.