SCHEMBL3463591

SCHEMBL3463591

COc1ccc2ccc(-c3ccccc3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
ALDH1A1 P00352 6/20 0.68
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ACACA Q13085 1/20 0.56
LMNA P02545 3/20 0.53
POLB P06746 1/20 0.53
NQO2 P16083 1/20 0.53
HPGD P15428 3/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
PLA2G2A P14555 1/20 0.52
TACR3 P29371 3/20 0.52
CYP1A2 P05177 1/20 0.50

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
SCHEMBL26613511 0.89 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL30228475 0.88 KDM4E (0.66) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5682765 0.88 KDM4E (0.66) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29276997 0.83 NPC1 (0.59) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29636725 0.81 NPC1 (1.00) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL28596277 0.81 SMN1; SMN2 (0.66) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL707767 0.81 NPC1 (1.00) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29501311 0.81 SMN1; SMN2 (0.66) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6851588 0.80 RAB9A (0.69) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29746123 0.80 RAB9A (0.69) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229204-A Method for preparing quinoline derivative by catalytic conversion of lignin by rhodium-based catalyst 中国科学院大连化学物理研究所 2023-12-15 CN disclosed
CN-102924458-B 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARM INC 2014-11-05 CN disclosed
CN-102924458-A 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARM INC 2013-02-13 CN disclosed
US-7820662-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
CN-101273038-A Macrocylic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2008-09-24 CN disclosed
WO-2008005565-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-01-10 WO disclosed
CN-1960993-A 6, 6-bicyclic substituted heterobicyclic protein kinase inhibitors OSI PHARM INC (US) 2007-05-09 CN disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 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-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 KDM4E 2218/4885SMN1; SMN2 2622/4885ALDH1A1 3941/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 KDM4E 2218/4885SMN1; SMN2 2622/4885ALDH1A1 3941/4885

“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.