SCHEMBL21483771

SCHEMBL21483771

NCc1ccccc1-c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.66
CACNG8 Q8WXS5 2/20 0.66
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
PGR P06401 4/20 0.52
BRD4 O60885 2/20 0.51
CREBBP Q92793 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
AHR P35869 2/20 0.47
PDK2 Q15119 1/20 0.47
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
TDP2 O95551 1/20 0.46
DPP4 P27487 1/20 0.45
CDC7 O00311 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
DBF4 Q9UBU7 1/20 0.45

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
SCHEMBL10712809 0.82 GRIA1 (0.69) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL24884440 0.79 GRIA1 (0.69) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL28639586 0.79 GRIA1 (0.69) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL10714302 0.79 GRIA1 (1.00) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL25970326 0.78 GRIA1 (0.59) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL3132725 0.78 PGR (0.73) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL7076084 0.78 GRIA1 (0.63) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL24192731 0.77 GRIA1 (0.55) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL10711255 0.76 GRIA1 (0.68) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL18189354 0.76 PGR (0.54) GRIA1CACNG8PDE3BPDE3APGR

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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US disclosed
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 GRIA1 2606/4885CACNG8 4003/4885PDE3B 1504/4885

“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.