SCHEMBL2524970

SCHEMBL2524970

Clc1ccc(-c2cc3n(n2)CCC3)cc1

nearest known ligand 0.91

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.46
AR P10275 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 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
SCHEMBL2525007 0.83 THRB (0.43) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL14844945 0.83 NISCH (0.38) RAB9ANPC1LMNASMN1; SMN2
SCHEMBL2522518 0.83 GRM5 (0.51) ALDH1A1
SCHEMBL14844863 0.81 THRB (0.45) RAB9AKDM4EALDH1A1
SCHEMBL2523357 0.79 KDM4E (0.41) LMNAHTTKDM4EMAPT
SCHEMBL2524414 0.78 GRM5 (0.50)
SCHEMBL2524849 0.78 KDM4E (0.42) LMNAHTTKDM4EALDH1A1MAPT
SCHEMBL2527289 0.73 CHRNB4 (0.42) LMNAHTTKDM4EALDH1A1HPGD
SCHEMBL16843692 0.72
SCHEMBL2524483 0.70 HRH4 (0.39) AR

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
CN-102947303-B Bicyclo-pyridyl pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-12-14 CN disclosed
EP-2556073-B1 BICYCLIC PYRIDINYL PYRAZOLES BAYER IP GMBH (DE) 2014-07-23 EP disclosed
US-8507472-B2 Bicyclic pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-13 US disclosed
CN-102947303-A Bicyclic pyrimidinyl pyrazoles BAYER CROPSCIENCE AG 2013-02-27 CN disclosed
EP-2556073-A1 BICYCLIC PYRIMIDINYL PYRAZOLES Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
WO-2011124539-A1 BICYCLIC PYRIMIDINYL PYRAZOLES BAYER CROPSCIENCE AG (DE) 2011-10-13 WO disclosed
US-20110251178-A1 Bicyclic Pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-10-13 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 (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-20110251178-A1 Bicyclic Pyridinylpyrazoles PLPBP, PNPO, PIR RAB9A 3773/4885NPC1 4033/4885LMNA 547/4885

“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.