SCHEMBL8966635

SCHEMBL8966635

C=Cc1cnc(N)c(C(=O)c2nc(N3CCNCC3)ccc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 8/20 0.49
PRKCQ Q04759 8/20 0.49
PRKCD Q05655 7/20 0.49
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
PTPN11 Q06124 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CDK9 P50750 1/20 0.37
CDK6 Q00534 1/20 0.37
CDK11A Q9UQ88 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
PRKCB P05771 1/20 0.37
FLT3 P36888 1/20 0.37
PRKCE Q02156 1/20 0.37

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
SCHEMBL8966587 0.86 PRKCQ (0.51) PRKCAPRKCQPRKCDIKBKETBK1
SCHEMBL8966557 0.85 PRKCA (0.47) PRKCAPRKCQPRKCDIKBKETBK1
SCHEMBL9009716 0.84 PRKCQ (0.54) PRKCAPRKCQPRKCDPRKCBFLT3
SCHEMBL8965423 0.82 PRKCQ (0.66) PRKCAPRKCQPRKCD
SCHEMBL8966446 0.79 PRKCQ (0.67) PRKCAPRKCQPRKCDPRKCBFLT3
SCHEMBL9013152 0.79 PRKCQ (0.68) PRKCAPRKCQPRKCD
SCHEMBL8966508 0.76 PRKCQ (0.70) PRKCAPRKCQPRKCDPRKCBFLT3
SCHEMBL9011731 0.76 PRKCQ (0.51) PRKCAPRKCQPRKCDIKBKETBK1
SCHEMBL8968619 0.74 ADRB2 (0.50) PRKCAPRKCQPRKCDIKBKETBK1
SCHEMBL11993710 0.74 PRKCQ (0.42) PRKCAPRKCQPRKCDBMPR1BBMPR1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 PRKCA 25/4885PRKCQ 38/4885PRKCD 120/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCA 25/4885PRKCQ 38/4885PRKCD 120/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCA 25/4885PRKCQ 38/4885PRKCD 120/4885

“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.