SCHEMBL8969952

SCHEMBL8969952

Cc1cc(C(=O)N2CCCN(c3cccc(C(=O)c4cccnc4N)n3)CC2)no1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 18/20 0.66
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.59
PRKCA P17252 3/20 0.58
PRKCD Q05655 3/20 0.58
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL13857190 0.91 ALDH1A1 (0.61) PRKCQALDH1A1TSHRPRKCAPRKCD
SCHEMBL8970170 0.85 PRKCQ (0.71) PRKCQALDH1A1PRKCAPRKCD
SCHEMBL8969647 0.84 PRKCQ (0.77) PRKCQPRKCAPRKCD
SCHEMBL8970041 0.83 PRKCQ (0.65) PRKCQALDH1A1PRKCAPRKCD
SCHEMBL8969871 0.83 PRKCQ (0.70) PRKCQALDH1A1PRKCAPRKCD
SCHEMBL8969911 0.83 PRKCQ (0.70) PRKCQPRKCAPRKCD
SCHEMBL8963321 0.82 ALDH1A1 (0.56) PRKCQALDH1A1TSHRKDM4ETDP1
SCHEMBL8969622 0.82 PRKCQ (0.71) PRKCQPRKCAPRKCD
SCHEMBL8969722 0.82 PRKCQ (0.68) PRKCQALDH1A1PRKCAPRKCDKDM4E
SCHEMBL8969670 0.82 PRKCQ (0.73) 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 38/4885ALDH1A1 4211/4885TSHR 3626/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885TSHR 3626/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885TSHR 3626/4885

“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.