SCHEMBL208536

SCHEMBL208536

Clc1ccc2ccn[c]c2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.38
CYP2A6 P11509 1/20 0.37
NOS1 P29475 2/20 0.34
DYRK1A Q13627 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
HTR2B P41595 1/20 0.32
PDE4D Q08499 1/20 0.32
CMA1 P23946 1/20 0.32
AHR P35869 1/20 0.32
TP53 P04637 1/20 0.31
BACE1 P56817 1/20 0.31
HTR3A P46098 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL209296 0.85 CYP2A6 (0.38) NR4A2CYP2A6NOS1DYRK1APDGFRB
SCHEMBL209074 0.75 BACE1 (0.38) CYP2A6AHRBACE1
SCHEMBL2358946 0.75 CYP1A2 (0.42) CYP2A6NOS1BACE1
SCHEMBL208082 0.75 BACE1 (0.38) CYP2A6NOS1DYRK1AAHRBACE1
SCHEMBL1450911 0.75 MEN1 (0.38) PDGFRBPDGFRA
SCHEMBL15670712 0.71 BACE1 (0.43) DYRK1ABACE1
SCHEMBL15512385 0.71 ALDH1A1 (0.35)
SCHEMBL208799 0.71 HDAC8 (0.34)
SCHEMBL577221 0.71 ALDH1A1 (0.36) TP53
SCHEMBL577957 0.69 BACE1 (0.38) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9408392-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-08-09 US disclosed
US-20140378461-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-25 US disclosed
EP-2814321-A2 NEMATICIDAL CIS (HETERO)ARYLCYCLOPROPYLCARBOXAMIDE DERIVATIVES Syngenta Participations AG (CH) 2014-12-24 EP disclosed
WO-2013120940-A2 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-08-22 WO disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
CN-101163700-A Triamine derivative DAIICHI SEIYAKU CO (JP) 2008-04-16 CN disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
CN-1420882-A Substd. oxoazaheterocyclyl compounds AVENTIS PHARM PROD INC (US) 2003-05-28 CN 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 NR4A2 2622/4885CYP2A6 246/4885NOS1 728/4885
US-20140378461-A1 NOVEL COMPOUNDS CYP1B1, DDT, CYP51A1 NR4A2 2070/4885CYP2A6 306/4885NOS1 2025/4885

“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.