SCHEMBL1509553

SCHEMBL1509553

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)Nc4ccc(N5CCN(C)CC5)nc4)ccc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HPSE Q9Y251 4/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ CLK3 P49761 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ WNT1 P04628 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 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
SCHEMBL14090417 0.91 NPC1 (0.46) SMN1; SMN2RAB9AL3MBTL1HPSEADORA2A
SCHEMBL12833920 0.86 MEN1 (0.47) SMN1; SMN2HPSEADORA2AHDAC2HDAC6
SCHEMBL14090416 0.86 DDR2 (0.49) HPSEEGFRHDAC2CLK2CLK3
SCHEMBL14090418 0.85 KDM1A (0.43) SMN1; SMN2HPSEADORA2AHDAC2HDAC6
SCHEMBL1509641 0.85 DRD2 (0.43) SMN1; SMN2RAB9AL3MBTL1HPSEADORA2A
SCHEMBL14090420 0.85 L3MBTL1 (0.42) L3MBTL1HPSEADORA2AHDAC2HDAC6
SCHEMBL14090445 0.85 HPSE (0.41) SMN1; SMN2RAB9AL3MBTL1HPSEADORA2A
SCHEMBL14090443 0.85 ABCB1 (0.43) HPSEADORA2AEGFRHDAC2HDAC6
SCHEMBL14090432 0.84 IRAK4 (0.45) SMN1; SMN2RAB9AHPSEEGFR
SCHEMBL12834415 0.84 KIT (0.44) EGFR

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 7 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
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 SMN1; SMN2 3752/4885RAB9A 2622/4885L3MBTL1 4423/4885

“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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