SCHEMBL2656889

SCHEMBL2656889

Cn1ccc2cc(OBOc3ccc4c(ccn4C)c3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.52
CYP2A6 P11509 2/20 0.47
KDM4C Q9H3R0 1/20 0.41
KDR P35968 1/20 0.40
CHRNA7 P36544 2/20 0.40
HSD11B1 P28845 1/20 0.40
PIK3CB P42338 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 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
SCHEMBL16441025 0.86 PRKCI (0.49) PRKCICYP2A6KDM4CKDRCHRNA7
SCHEMBL30444309 0.81 PRKCI (0.55) PRKCICYP2A6TUBB4ATUBBTUBA3C
SCHEMBL5080973 0.81 PRKCI (0.55) PRKCICYP2A6TUBB4ATUBBTUBA3C
SCHEMBL7233306 0.79 PRKCI (0.53) PRKCICYP2A6KDM4CKDRCHRNA7
SCHEMBL18314120 0.79 PRKCI (0.53) PRKCICYP2A6KDM4CKDRCHRNA7
SCHEMBL8685783 0.78 PRKCI (0.52) PRKCICYP2A6KDM4CKDRCHRNA7
SCHEMBL4499757 0.77 HTR2C (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11009200 0.76 MAPT (0.51) PRKCICYP2A6KDRPPARDPPARA
SCHEMBL26441685 0.76 PRKCI (0.50) PRKCICYP2A6KDM4CKDRCHRNA7
SCHEMBL5431673 0.75 PRKCI (0.49) PRKCICYP2A6KDM4CKDRCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855260-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2018-01-02 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-20130345212-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US disclosed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP disclosed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 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 (4 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-20150238480-A1 QUINOLINONE DERIVATIVES PRKAG2, PRKAB2, PRKAG1 PRKCI 17/4885CYP2A6 2217/4885KDM4C 3702/4885
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 PRKCI 1870/4885CYP2A6 611/4885KDM4C 2751/4885
US-20130345212-A1 QUINOLINONE DERIVATIVES PRKAG2, PRKAB2, PRKAG1 PRKCI 17/4885CYP2A6 2217/4885KDM4C 3702/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 PRKCI 3113/4885CYP2A6 107/4885KDM4C 1484/4885

“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.