SCHEMBL8969827

SCHEMBL8969827

Nc1ncccc1C(=O)c1cccc(N2CCCN(C(=O)Cc3ccccc3)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 18/20 0.67
PRKCA P17252 3/20 0.64
PRKCD Q05655 3/20 0.64
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8969640 0.92 PRKCQ (0.66) PRKCQPRKCAPRKCDKDM4ESMN1; SMN2
SCHEMBL9007648 0.91 PRKCQ (0.62) PRKCQPRKCAPRKCDKDM4E
SCHEMBL8969861 0.90 PRKCQ (0.64) PRKCQPRKCAPRKCDKDM4ESMN1; SMN2
SCHEMBL13857179 0.89 PRKCQ (0.54) PRKCQPRKCAPRKCDKDM4ESMN1; SMN2
SCHEMBL8969670 0.88 PRKCQ (0.73) PRKCQPRKCAPRKCD
SCHEMBL8969817 0.88 PRKCQ (0.62) PRKCQPRKCAPRKCDKDM4E
SCHEMBL8970084 0.86 PRKCQ (0.49) PRKCQPRKCAPRKCDKDM4ESMN1; SMN2
SCHEMBL8969871 0.86 PRKCQ (0.70) PRKCQPRKCAPRKCD
SCHEMBL8969877 0.85 PRKCQ (0.65) PRKCQPRKCAPRKCDKDM4E
SCHEMBL8969883 0.85 PRKCQ (0.67) PRKCQPRKCAPRKCD

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 7 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-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-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 PRKCQ 38/4885PRKCA 25/4885PRKCD 120/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCA 25/4885PRKCD 120/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCA 25/4885PRKCD 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.