SCHEMBL12833863

SCHEMBL12833863

COc1ncccc1-c1ccc(O)c(-c2nc3cccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)c3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 13/20 0.42
▸ ABCG2 Q9UNQ0 11/20 0.42
▸ ALK Q9UM73 4/20 0.40
▸ INSR P06213 3/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ NPM1 P06748 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ GSK3B P49841 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
SCHEMBL14090605 0.89 ABCB1 (0.43) ABCB1ABCG2ALKABL1GSK3B
SCHEMBL1509498 0.87 ABCG2 (0.48) ABCB1ABCG2
SCHEMBL1509593 0.83 CARM1 (0.45) ABCB1ABCG2ALKABL1GSK3B
SCHEMBL14090443 0.83 ABCB1 (0.43) ABCB1ABCG2GSK3B
SCHEMBL12834002 0.82 ABCB1 (0.45) ABCB1ABCG2GSK3B
SCHEMBL14090449 0.81 ABCG2 (0.44) ABCB1ABCG2GSK3B
SCHEMBL12833550 0.81 ABCB1 (0.44) ABCB1ABCG2CYP1A2CYP2D6GSK3B
SCHEMBL14090416 0.81 DDR2 (0.49) ALKINSRABL1
SCHEMBL14090225 0.81 HDAC6 (0.56) ALKINSRABL1
SCHEMBL12834138 0.81 NR2E3 (0.49) ALKINSRABL1NPM1IGF1R

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 ABCB1 2579/4885ABCG2 3134/4885ALK 305/4885

“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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