SCHEMBL2234825

SCHEMBL2234825

CC(C)c1ccc(CCOc2ccc(CN3CCNCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.47
LTA4H P09960 1/20 0.46
HTR6 P50406 1/20 0.45
CXCR4 P61073 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA2C P18825 1/20 0.44
CCR2 P41597 1/20 0.44
CXCL12 P48061 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ACHE P22303 1/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL2230847 1.00 HRH3 (0.51) HRH3MEN1KMT2ATSHRLTA4H
SCHEMBL13582604 0.95 HRH3 (0.53) HRH3MEN1KMT2ATSHRCXCR4
SCHEMBL2234918 0.94 MEN1 (0.51) HRH3MEN1KMT2ATSHRLTA4H
SCHEMBL2232063 0.87 TSHR (0.47) HRH3MEN1KMT2ATSHRLTA4H
SCHEMBL2232752 0.87 HRH3 (0.66) HRH3MEN1KMT2ANPC1RAB9A
SCHEMBL2231202 0.87 DRD2 (0.53) HRH3MEN1KMT2ATSHRLTA4H
SCHEMBL2233209 0.85 SPHK1 (0.47) HRH3MEN1KMT2ATSHRCXCR4
SCHEMBL2236728 0.85 SIGMAR1 (0.54) HRH3TSHRLTA4HSIGMAR1
SCHEMBL2231797 0.85 TSHR (0.54) HRH3MEN1KMT2ATSHRLTA4H
SCHEMBL2232165 0.85 CXCR4 (0.59) HRH3MEN1KMT2ATSHRLTA4H

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 HRH3 663/4885MEN1 2854/4885KMT2A 686/4885

“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.