SCHEMBL12834014

SCHEMBL12834014

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)N4CCN(Cc5ccccn5)CC4)ccc3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ F10 P00742 1/20 0.44
▸ TBK1 Q9UHD2 3/20 0.43
▸ TACR3 P29371 1/20 0.41
▸ USP2 O75604 1/20 0.39
▸ MPO P05164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL12834220 0.97 KMT2A (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12833881 0.90 KMT2A (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12834435 0.89 TBK1 (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12834008 0.88 TBK1 (0.42) ALDH1A1KDM4EMAPTMAPK1TBK1
SCHEMBL14090419 0.88 RIPK1 (0.46) ALDH1A1KDM4EMAPTMAPK1TBK1
SCHEMBL12833813 0.87 DRD4 (0.52) TBK1SMN1; SMN2AKT1
SCHEMBL14090689 0.87 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12833996 0.86 SLC6A7 (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12833886 0.86 LOXL2 (0.39) ALDH1A1KDM4EMAPTMAPK1TBK1
SCHEMBL12833471 0.85 FLT3 (0.41) ALDH1A1KDM4EMAPTMAPK1TBK1

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 MEN1 1879/4885KMT2A 1726/4885ALDH1A1 2293/4885

“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.

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