SCHEMBL2236840

SCHEMBL2236840

Fc1cc(Br)ccc1CCOc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.49
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
AKR1B1 P15121 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
IDO1 P14902 1/20 0.43
MAOB P27338 1/20 0.41
MMP3 P08254 1/20 0.40
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GPR84 Q9NQS5 2/20 0.39
CCR5 P51681 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL14967007 0.86 PDPK1 (0.47) AKR1B1NPC1RAB9AMAOBKMT2A
Hydrochloric Acid SCHEMBL27883500 0.80 DRD2 (0.48) DRD4DRD2DRD3NPC1MAOB
SCHEMBL2235275 0.78 ALDH1A1 (0.51) DRD4DRD2DRD3MAOBMMP3
SCHEMBL20360954 0.73 MAOB (0.47) NPC1RAB9AMAOBKMT2AMEN1
SCHEMBL14967564 0.73 ALDH1A1 (0.43) DRD4DRD2DRD3NPC1RAB9A
SCHEMBL27753798 0.72 PDPK1 (0.44) AKR1B1NPC1RAB9A
SCHEMBL25243438 0.72 MAOB (0.49) DRD4MAOBKCNH2KMT2AMEN1
SCHEMBL31530409 0.71 NPC1 (0.54) NPC1RAB9AMAOBKMT2AMEN1
SCHEMBL20496731 0.70 RAB9A (0.51) NPC1RAB9AMAOBKMT2AALDH1A1
SCHEMBL2298211 0.70 PDPK1 (0.45) AKR1B1NPC1RAB9A

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 8 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
CN-102791690-A Di-substituted pyridine derivatives as anticancers OTSUKA PHARMA CO LTD 2012-11-21 CN 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 DRD4 466/4885DRD2 474/4885DRD3 787/4885

“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.