SCHEMBL21483767

SCHEMBL21483767

NCc1ccccc1-n1cc2c(n1)CCNC2=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.40
PARP11 Q9NR21 5/20 0.37
PARP1 P09874 4/20 0.37
PARP10 Q53GL7 4/20 0.37
PDPK1 O15530 1/20 0.37
PDE4B Q07343 1/20 0.34
MAPKAPK2 P49137 4/20 0.33
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
CDC7 O00311 1/20 0.32
CNR1 P21554 1/20 0.32
MAPK9 P45984 1/20 0.32
NCF1 P14598 1/20 0.32

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
SCHEMBL21483766 0.78 JAK2 (0.41) GPR52PARP11PARP1PARP10PDPK1
SCHEMBL17256724 0.74 GPR52 (0.42) GPR52PARP11PARP1PARP10PDPK1
SCHEMBL17256683 0.70 GPR52 (0.44) GPR52PARP11PARP1PARP10MAPKAPK2
SCHEMBL21623937 0.67 BPTF (0.39) GPR52PARP11PARP1PARP10PDPK1
SCHEMBL21987967 0.66 PARP10 (0.41) GPR52PARP11PARP1PARP10PDPK1
SCHEMBL4716078 0.66 GPR52 (0.54) GPR52PARP11PARP1PARP10MAPKAPK2
SCHEMBL21987940 0.66 PKN1 (0.40) GPR52PARP11PARP1PARP10PDPK1
SCHEMBL27650487 0.64 MAPT (0.43) PARP1NCF1
SCHEMBL300231 0.62 GRM5 (0.44) PARP11PARP1PARP10PDPK1PDE4B
SCHEMBL22216242 0.62 PKN1 (0.41) GPR52PARP11PARP1PARP10PDPK1

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 GPR52 3457/4885PARP11 659/4885PARP1 504/4885

“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.