SCHEMBL8967433

SCHEMBL8967433

Nc1ncccc1C(=O)c1nc(NC2CCCCC2N)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.47
FLT3 P36888 2/20 0.45
PRKCQ Q04759 2/20 0.45
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCD Q05655 1/20 0.45
SYK P43405 5/20 0.43
KCNH2 Q12809 2/20 0.43
PIM1 P11309 2/20 0.41
CDC7 O00311 1/20 0.41
GSK3B P49841 1/20 0.41
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
HCK P08631 1/20 0.40
ROS1 P08922 1/20 0.40
PRKACA P17612 1/20 0.40
MARK3 P27448 1/20 0.40
LTK P29376 1/20 0.40

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
SCHEMBL8967167 0.83 PRKCQ (0.44) FLT3PRKCQPRKCBPRKCAPRKCE
SCHEMBL8967043 0.81 PRKCQ (0.49) FLT3PRKCQPRKCBPRKCAPRKCE
SCHEMBL8967129 0.80 FLT3 (0.47) IRAK4FLT3PRKCQPRKCBPRKCA
SCHEMBL8967048 0.80 PRKCQ (0.48) FLT3PRKCQPRKCBPRKCAPRKCE
SCHEMBL8968121 0.78 PRKCQ (0.46) FLT3PRKCQPRKCBPRKCAPRKCE
SCHEMBL8967174 0.77 PRKCQ (0.53) FLT3PRKCQPRKCBPRKCAPRKCE
SCHEMBL9012942 0.76 PRKCQ (0.46) FLT3PRKCQPRKCBPRKCAPRKCE
SCHEMBL8967069 0.76 PRKCQ (0.54) IRAK4FLT3PRKCQPRKCBPRKCA
SCHEMBL8967201 0.76 PRKCQ (0.47) FLT3PRKCQPRKCBPRKCAPRKCE
SCHEMBL8967013 0.76 PRKCQ (0.47) FLT3PRKCQPRKCBPRKCAPRKCE

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 IRAK4 538/4885FLT3 330/4885PRKCQ 38/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 IRAK4 538/4885FLT3 330/4885PRKCQ 38/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 IRAK4 538/4885FLT3 330/4885PRKCQ 38/4885
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP4K5 IRAK4 520/4885FLT3 278/4885PRKCQ 37/4885

“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.