SCHEMBL12834306

SCHEMBL12834306

COc1ncccc1-c1ccc(O)c(-c2nc3cc(N4CC5(CN(C)C5)C4)cc(C)c3[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ BRD4 O60885 5/20 0.35
▸ BRD3 Q15059 5/20 0.35
▸ BRD2 P25440 4/20 0.35
▸ CREBBP Q92793 4/20 0.35
▸ CARM1 Q86X55 4/20 0.34
▸ DHFR P00374 1/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL12834289 0.87 LOXL2 (0.41) LOXL2HRH4CARM1DHFRFGFR1
SCHEMBL12833659 0.86 ABL1 (0.37) FGFR1FGFR2FGFR3LRRK2
SCHEMBL14090229 0.80 LOXL2 (0.43) LOXL2CARM1DHODHALOX5APFFAR4
SCHEMBL14089973 0.78 LOXL2 (0.38) LOXL2HRH4CARM1DHFRFGFR1
SCHEMBL14091681 0.78 DHODH (0.44) LOXL2CARM1FGFR1FGFR2FGFR3
SCHEMBL1509467 0.76 DHFR (0.43) LOXL2HRH4CARM1DHFRDHODH
SCHEMBL12834329 0.76 KIT (0.36) —
SCHEMBL12834297 0.75 FFAR4 (0.40) LOXL2HRH4BRD4CARM1DHFR
SCHEMBL12834288 0.75 RAB9A (0.45) BRD4FGFR1
SCHEMBL14090230 0.75 ALDH1A1 (0.55) BRD4CARM1FGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 LOXL2 1125/4885HRH4 402/4885BRD4 380/4885

“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.

Send feedback