SCHEMBL20249116

SCHEMBL20249116

CC(C)(C)c1ccc(N2CCC(O)C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
AR P10275 1/20 0.42
SYK P43405 2/20 0.41
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
CNR2 P34972 6/20 0.40
MAPT P10636 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HSD11B1 P28845 1/20 0.38
CDK4 P11802 2/20 0.38
CDK6 Q00534 2/20 0.38
CYP3A4 P08684 1/20 0.38
LCAT P04180 1/20 0.38

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
SCHEMBL20249098 0.92 MAPT (0.46) ABL1CDK1CDK2MAPTHRH3
SCHEMBL20249101 0.82 HRH4 (0.51) CDK1CDK2HRH3CDK4CYP3A4
SCHEMBL20249226 0.81 MAPT (0.45) MAPTHRH3HSD11B1CYP3A4LCAT
SCHEMBL26798772 0.81 CNR2 (0.47) CNR2LCAT
SCHEMBL24859477 0.81 ABL1 (0.49) ABL1ARCDK1CDK2MAPT
SCHEMBL20037743 0.81 ABL1 (0.49) ABL1ARCDK1CDK2MAPT
SCHEMBL21707135 0.80 LCAT (0.37) MAPTHRH3HSD11B1CYP3A4LCAT
SCHEMBL20255191 0.80 HRH4 (0.43) CDK1CDK2MAPTHRH3HSD11B1
SCHEMBL20249520 0.79 HRH4 (0.44) HRH3CDK4CDK6CYP3A4
SCHEMBL20249117 0.78 HRH3 (0.49) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289833-A1 TYK2 INHIBITOR COMPOUND CONTAINING BICYCLIC RING CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-12-13 EP disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
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 ABL1 64/4885AR 1169/4885SYK 609/4885

“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.