SCHEMBL12834288

SCHEMBL12834288

CN1CC2(C1)CN(c1ccc3[nH]c(-c4cc(-c5cccnc5Cl)ccc4O)nc3c1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ DGAT1 O75907 4/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TOP1 P11387 2/20 0.36
▸ TOP2A P11388 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GUSB P08236 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ AMY1A P0DUB6 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ CHEK2 O96017 2/20 0.33

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 0.88 LOXL2 (0.41) RAB9AMEN1NPC1KMT2ATOP1
SCHEMBL12833667 0.87 ADORA2A (0.41) RAB9AMEN1NPC1KMT2ADGAT1
SCHEMBL12834283 0.84 ALDH1A1 (0.41) RAB9ANPC1DGAT1TOP1TOP2A
SCHEMBL14090239 0.82 ALDH1A1 (0.56) RAB9AMEN1NPC1KMT2ADGAT1
SCHEMBL14089973 0.80 LOXL2 (0.38) RAB9AMEN1NPC1KMT2ATOP1
SCHEMBL14089972 0.78 ADORA2A (0.39) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL12834285 0.76 ALDH1A1 (0.40) RAB9ANPC1TOP1TOP2AALDH1A1
SCHEMBL12833657 0.76 ADORA2A (0.39) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL12834297 0.76 FFAR4 (0.40) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL12834306 0.75 LOXL2 (0.36) FGFR1BRD4

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 RAB9A 2622/4885MEN1 1879/4885NPC1 2983/4885

“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