SCHEMBL8966966

SCHEMBL8966966

CC(C)(N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.48
PRKCD Q05655 3/20 0.48
PRKCA P17252 3/20 0.48
PRKCB P05771 1/20 0.48
FLT3 P36888 1/20 0.48
PRKCE Q02156 1/20 0.48
NAPRT Q6XQN6 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CD38 P28907 1/20 0.36
PRKCI P41743 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
IL1B P01584 1/20 0.34
NUDT1 P36639 2/20 0.34
DHODH Q02127 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL11993749 0.94 PRKCQ (0.48) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967639 0.91 PRKCQ (0.46) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL22409668 0.89 PRKCQ (0.45) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967910 0.88 PRKCQ (0.50) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL9009827 0.87 PRKCQ (0.44) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967301 0.87 PRKCQ (0.48) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967062 0.86 PRKCQ (0.47) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967013 0.86 PRKCQ (0.47) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967647 0.86 PRKCQ (0.47) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967201 0.86 PRKCQ (0.47) PRKCQPRKCDPRKCAPRKCBFLT3

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 16 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-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-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-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-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
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 38/4885PRKCD 120/4885PRKCA 25/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCD 120/4885PRKCA 25/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCD 120/4885PRKCA 25/4885
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP4K5 PRKCQ 37/4885PRKCD 85/4885PRKCA 24/4885

“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.