SCHEMBL8967048

SCHEMBL8967048

Nc1ncccc1C(=O)c1nc(NC2CCNC2)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.48
PRKCD Q05655 3/20 0.48
PRKCA P17252 2/20 0.48
FLT3 P36888 2/20 0.48
PRKCB P05771 1/20 0.48
PRKCE Q02156 1/20 0.48
HRH3 Q9Y5N1 3/20 0.45
HRH4 Q9H3N8 2/20 0.45
RPS6KB1 P23443 1/20 0.39
SSTR4 P31391 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA2 P20248 1/20 0.37
SSTR1 P30872 1/20 0.37
PRKD1 Q15139 2/20 0.36
PRKD2 Q9BZL6 2/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNK O75909 1/20 0.36
CCNE1 P24864 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
SCHEMBL8967129 0.94 FLT3 (0.47) PRKCQPRKCDPRKCAFLT3PRKCB
SCHEMBL8967043 0.92 PRKCQ (0.49) PRKCQPRKCDPRKCAFLT3PRKCB
SCHEMBL8967061 0.84 PRKCQ (0.48) PRKCQPRKCDPRKCAFLT3PRKCB
SCHEMBL8967167 0.82 PRKCQ (0.44) PRKCQPRKCDPRKCAFLT3PRKCB
SCHEMBL8967207 0.81 PRKCB (0.47) PRKCQPRKCDPRKCAFLT3PRKCB
SCHEMBL8967433 0.80 IRAK4 (0.47) PRKCQPRKCDPRKCAFLT3PRKCB
SCHEMBL8967069 0.77 PRKCQ (0.54) PRKCQPRKCDPRKCAFLT3PRKCB
SCHEMBL14984291 0.77 PRKCQ (0.48) PRKCQPRKCDPRKCAFLT3PRKCB
SCHEMBL8967174 0.76 PRKCQ (0.53) PRKCQPRKCDPRKCAFLT3PRKCB
SCHEMBL8968121 0.76 PRKCQ (0.46) PRKCQPRKCDPRKCAFLT3PRKCB

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.