SCHEMBL4725839

SCHEMBL4725839

Cc1cc(NC(=O)c2[c]cccc2)n[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.63
CDK2 P24941 3/20 0.63
CCNA1 P78396 3/20 0.63
NPC1 O15118 9/20 0.53
RAB9A P51151 9/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGDS O60760 1/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
RET P07949 1/20 0.40
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39

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
SCHEMBL8141305 0.78 CCNA2 (1.00) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL6341557 0.76 CCNA2 (0.85) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL4725840 0.75 CCNA2 (0.73) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL4289654 0.75 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL6339700 0.75 CCNA2 (0.82) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL17538513 0.74 CCNA2 (0.71) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL6339310 0.74 NPC1 (0.66) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL9132190 0.74 CCNA2 (0.66) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL25143450 0.72 CCNA2 (0.63) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL31665052 0.72 CCNA2 (0.63) CCNA2CDK2CCNA1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US claimed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 CCNA2 3094/4885CDK2 572/4885CCNA1 3933/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 CCNA2 1846/4885CDK2 636/4885CCNA1 3109/4885

“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.