SCHEMBL17878698

SCHEMBL17878698

CC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C12CC2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.37
JAK3 P52333 2/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
CCNA2 P20248 5/20 0.33
CDK2 P24941 5/20 0.33
CCNA1 P78396 5/20 0.33
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
KDM1A O60341 1/20 0.31
C5AR1 P21730 1/20 0.31
CD38 P28907 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL1368936 0.86 CDK2 (0.42) NR1H2CCNA2CDK2CCNA1C5AR1
SCHEMBL16627099 0.71 CDK2 (0.43) NR1H2CCNA2CDK2CCNA1C5AR1
SCHEMBL2915130 0.70 NR1H2 (0.40) NR1H2ADORA1NAMPT
SCHEMBL1888941 0.68 ADORA1 (0.47) NR1H2ADORA1KDM4E
SCHEMBL6375680 0.68 C5AR1 (0.35) NR1H2CCNA2CDK2CCNA1ADORA1
SCHEMBL17317969 0.68 ADORA1 (0.50) NR1H2ADORA1KDM4E
SCHEMBL22095959 0.66 C5AR1 (0.39) NR1H2CCNA2CDK2CCNA1KDM4E
SCHEMBL26407436 0.65 NR1H2 (0.35) NR1H2CCNA2CDK2CCNA1ADORA1
SCHEMBL19195046 0.65 NR1H2 (0.38) NR1H2JAK3CCNA2CDK2CCNA1
SCHEMBL6440183 0.65 ADORA1 (0.36) NR1H2ADORA1

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
US-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-01-27 US disclosed
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 US disclosed
WO-2016105528-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-30 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 (2 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-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 NR1H2 2934/4885JAK3 396/4885GRIN2B 3938/4885
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 NR1H2 2934/4885JAK3 396/4885GRIN2B 3938/4885

“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.