SCHEMBL3589780

SCHEMBL3589780

Cn1nc(-c2cccnc2)c2c(Cl)c(N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
HCK P08631 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
EPHB4 P54760 1/20 0.43
PRKDC P78527 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
NQO2 P16083 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
P2RX7 Q99572 2/20 0.39
CYP2A6 P11509 5/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP2A13 Q16696 1/20 0.37

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
SCHEMBL2690242 0.79 CYP2A6 (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL15333460 0.74 GRM5 (0.43) P2RX7CYP2A6ALDH1A1CYP2A13CYP1A2
SCHEMBL16200063 0.74 ALDH1A1 (0.48) P2RX7CYP2A6ALDH1A1CYP2A13CYP1A2
SCHEMBL25420593 0.73 MKNK1 (0.46) P2RX7CYP1A2CYP3A4MKNK1MKNK2
SCHEMBL2690682 0.72 CYP2A6 (0.43) NQO2ADORA2AADORA2BP2RX7CYP2A6
SCHEMBL28909937 0.72 CYP2A6 (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL2690686 0.71 CYP2A6 (0.44) P2RX7CYP2A6ALDH1A1CYP2A13CYP1A2
SCHEMBL15656250 0.71 GRM5 (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL15656792 0.71 GRM5 (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL130584 0.70 PIK3CD (0.71) PIK3CDABL1EGFRHCKSRC

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-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 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 (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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK PIK3CD 1671/4885ABL1 1/4885EGFR 950/4885

“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.