SCHEMBL16631904

SCHEMBL16631904

CCn1cc(-c2cn(C)c(=O)nc2N)nn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.43
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
KDM4E B2RXH2 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
EP300 Q09472 15/20 0.35

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
SCHEMBL18080375 0.82 RET (0.41) RETCCNKCDK12KDM4EKDM5C
SCHEMBL16631905 0.82 BRD4 (0.35) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL16631715 0.82 CYP19A1 (0.51) CCNKCDK12
SCHEMBL16631898 0.77 LRRK2 (0.46)
SCHEMBL12369679 0.76 RET (0.47) RETCCNKCDK12KDM4EKDM5C
SCHEMBL18081911 0.75 EP300 (0.38) EP300
SCHEMBL18081738 0.74 CA1 (0.43)
SCHEMBL12369691 0.74 RET (0.45) RETCCNKCDK12KDM4EKDM5C
SCHEMBL16631896 0.72 CCNK (0.42) RETCCNKCDK12KDM4EKDM5C
SCHEMBL16631903 0.71 CCNT1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO 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 (1 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 RET 3030/4885CCNK 2597/4885CDK12 2045/4885

“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.