SCHEMBL20249114

SCHEMBL20249114

CC(C)(C)c1ccc(N2CCNC(=O)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND3 P30281 1/20 0.46
CDK9 P50750 1/20 0.46
CDK6 Q00534 1/20 0.46
WNT3A P56704 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
GFER P55789 1/20 0.39
AOC3 Q16853 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
PRKCH P24723 1/20 0.37
PRKCE Q02156 1/20 0.37
RORC P51449 1/20 0.36
GAK O14976 1/20 0.36
SYK P43405 1/20 0.36
DPP4 P27487 1/20 0.36
HSD11B1 P28845 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
SCHEMBL12145921 0.79 CHRNB2 (0.58) CDK4CCND1CHRNB2CHRNA4
SCHEMBL20249272 0.79 CHRNB2 (0.34) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL1991950 0.78 PIK3CA (0.50) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL20249255 0.78 CYP1A2 (0.41) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL29660579 0.78 PIK3CA (0.50) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL18291561 0.78 CCNT1 (0.46) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL12302651 0.77 MAPT (0.59) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL29660541 0.77 MAPT (0.59) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL20037591 0.76 GFER (0.40) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL20249112 0.76 OPRM1 (0.41) OPRM1OPRL1AOC3HSD11B1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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 (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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 CCNT1 49/4885CDK4 1/4885CCND1 32/4885

“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.