SCHEMBL2234142

SCHEMBL2234142

COc1ccc(OCCc2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.51
APP P05067 4/20 0.50
PPARD Q03181 3/20 0.50
PPARA Q07869 3/20 0.50
KCNH2 Q12809 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
FPR2 P25090 1/20 0.49
SLC2A1 P11166 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL1991025 0.86 MEN1 (0.61) MEN1NPC1GAAMAPTRAB9A
SCHEMBL2235239 0.85 NQO1 (0.52) GPR84NPC1RAB9AMAOBMAOA
SCHEMBL2234410 0.85 DRD2 (0.60) GPR84MAOBMAOAPPARDPPARA
SCHEMBL17006822 0.83 MEN1 (0.55) GPR84MEN1KMT2AMAOBMAOA
SCHEMBL22894194 0.83 KMT2A (0.60) NPC1GAAMAPTKMT2AMAOB
SCHEMBL2233579 0.83 MEN1 (0.55) GPR84MEN1KMT2AMAOBMAOA
SCHEMBL19012412 0.83 KMT2A (0.60) NPC1GAAMAPTKMT2AMAOB
SCHEMBL24041780 0.81 APP (0.54) KMT2AAPPPPARDPPARAKCNH2
SCHEMBL16161864 0.81 APP (0.50) KMT2AMAOBAPPPPARDPPARA
SCHEMBL28632321 0.81 FFAR1 (0.53) GPR84MAOBMAOAAPPPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528897-B9 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2015-04-22 EP disclosed
EP-2528897-B1 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2014-10-15 EP disclosed
US-8722663-B2 Di-substituted pyridine derivatives as anticancers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-13 US disclosed
EP-2528897-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 EP disclosed
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-08 US disclosed
WO-2011093524-A9 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-01 WO disclosed
WO-2011093524-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 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 (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-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS TPD52L2, CCNE2, CDK2 GPR84 1412/4885MEN1 2854/4885NPC1 3644/4885

“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.