SCHEMBL8967129

SCHEMBL8967129

Nc1ncccc1C(=O)c1nc(NC2CCCNC2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.47
PRKCB P05771 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CCNT1 O60563 3/20 0.42
CCNK O75909 3/20 0.42
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
CDK9 P50750 3/20 0.42
CDK12 Q9NYV4 3/20 0.42
CHEK1 O14757 4/20 0.41
AURKA O14965 3/20 0.40
RPS6KB1 P23443 3/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL8967048 0.94 PRKCQ (0.48) FLT3PRKCBPRKCAPRKCEPRKCQ
SCHEMBL8967043 0.91 PRKCQ (0.49) FLT3PRKCBPRKCAPRKCEPRKCQ
SCHEMBL8967207 0.85 PRKCB (0.47) FLT3PRKCBPRKCAPRKCEPRKCQ
SCHEMBL8967167 0.84 PRKCQ (0.44) FLT3PRKCBPRKCAPRKCEPRKCQ
SCHEMBL8967061 0.81 PRKCQ (0.48) FLT3PRKCBPRKCAPRKCEPRKCQ
SCHEMBL8967433 0.80 IRAK4 (0.47) FLT3PRKCBPRKCAPRKCEPRKCQ
SCHEMBL8967069 0.79 PRKCQ (0.54) FLT3PRKCBPRKCAPRKCEPRKCQ
SCHEMBL8967174 0.77 PRKCQ (0.53) FLT3PRKCBPRKCAPRKCEPRKCQ
SCHEMBL31666884 0.75 CCNT1 (0.54) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL27388900 0.75 CCNT1 (0.54) CCNT1CCNKCCNE1CDK2CDK9

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 FLT3 330/4885PRKCB 31/4885PRKCA 25/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 FLT3 330/4885PRKCB 31/4885PRKCA 25/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 FLT3 330/4885PRKCB 31/4885PRKCA 25/4885
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP4K5 FLT3 278/4885PRKCB 45/4885PRKCA 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.