SCHEMBL8967174

SCHEMBL8967174

Nc1ncccc1C(=O)c1nc(NCC2CCCCN2)ccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.53
PRKCD Q05655 7/20 0.53
PRKCA P17252 7/20 0.53
PRKCB P05771 1/20 0.53
FLT3 P36888 1/20 0.53
PRKCE Q02156 1/20 0.53
IL1B P01584 3/20 0.40
TRPV1 Q8NER1 1/20 0.39
CHEK1 O14757 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA1F O60840 1/20 0.38
LMNA P02545 1/20 0.38
KCNA5 P22460 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL8967069 0.97 PRKCQ (0.54) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967207 0.83 PRKCB (0.47) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967061 0.83 PRKCQ (0.48) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8968121 0.82 PRKCQ (0.46) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL9012942 0.82 PRKCQ (0.46) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967673 0.81 PRKCQ (0.44) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967013 0.78 PRKCQ (0.47) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967201 0.78 PRKCQ (0.47) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967647 0.78 PRKCQ (0.47) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967301 0.77 PRKCQ (0.48) 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 15 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

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.