SCHEMBL2647565

SCHEMBL2647565

COCc1ccc([O])cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ATM Q13315 5/20 0.34
ATR Q13535 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
S1PR4 O95977 1/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
KDR P35968 1/20 0.32
KCNH2 Q12809 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
AOC3 Q16853 1/20 0.31
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31

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
SCHEMBL1532884 0.77 ESR1 (0.50) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL12141414 0.77 SYK (0.47) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL7982148 0.76 ALDH1A1 (0.44) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL21830227 0.76
SCHEMBL24667797 0.75 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL19432655 0.75 MBOAT4 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL12141412 0.75 S1PR4 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL20322072 0.75 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL29845479 0.75 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
Ammonia Solution, Strong SCHEMBL29208093 0.75 SYK (0.46) PIK3CDPIK3CAPIK3CBPI4KAPI4KB

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
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP claimed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 PIK3CD 2519/4885PIK3CA 2001/4885PIK3CB 1262/4885

“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.