SCHEMBL23830302

SCHEMBL23830302

NC(=O)c1[nH]nc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LIMK1 P53667 2/20 0.41
RPS6KB1 P23443 2/20 0.37
MKNK2 Q9HBH9 3/20 0.35
MKNK1 Q9BUB5 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLK4 O00444 1/20 0.35
MAP4K4 O95819 1/20 0.35
EGFR P00533 1/20 0.35
ROS1 P08922 1/20 0.35
PIM1 P11309 1/20 0.35
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
FRK P42685 1/20 0.35
MAP4K2 Q12851 1/20 0.35
NTRK3 Q16288 1/20 0.35

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
SCHEMBL18208663 0.84 KDM4E (0.40) PARP1KDM4EL3MBTL1MAPTCDK9
SCHEMBL2172066 0.73 CCNA2 (0.54) PARP1CCNA2CDK2CCNA1KDM4E
SCHEMBL6649449 0.73 CYP1A2 (0.47) CCNA2CDK2CCNA1KDM4EPDPK1
SCHEMBL5084936 0.72 CCNA2 (0.39) CCNA2CDK2CCNA1RPS6KB1PDPK1
SCHEMBL1384474 0.72 GSK3A (0.48) PARP1CCNA2CDK2CCNA1KDM4E
SCHEMBL2330553 0.72 MAPT (0.48) CCNA2CDK2KDM4EMKNK2MKNK1
Hydrochloric Acid SCHEMBL20529735 0.71 CCNA2 (0.41) PARP1CCNA2CDK2CCNA1KDM4E
SCHEMBL31222504 0.70 PARP1 (0.43) PARP1CDK2KDM4ELIMK1MKNK2
SCHEMBL29455053 0.69 PARP1 (0.45) PARP1KDM4ELIMK1RPS6KB1ITK
SCHEMBL3219167 0.69 PARP1 (0.45) PARP1KDM4ELIMK1RPS6KB1ITK

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-20220213092-A1 BICYCLIC PYRAZOLE BRUTON'S TYROSINE KINASE INHIBITORS ABBVIE INC (US) 2022-07-07 US disclosed
WO-2022132997-A1 BICYCLIC PYRAZOLE BRUTON'S TYROSINE KINASE INHIBITORS ABBVIE INC. (US) 2022-06-23 WO disclosed
US-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA CADILA HEALTHCARE LIMITED (IN) 2021-09-23 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 (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-20220213092-A1 BICYCLIC PYRAZOLE BRUTON'S TYROSINE KINASE INHIBITORS BTK, LYN, ABL1 PARP1 833/4885CCNA2 526/4885CDK2 40/4885
US-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA DPEP1, SAT1, PEPD PARP1 1894/4885CCNA2 2043/4885CDK2 850/4885

“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.