SCHEMBL14090551

SCHEMBL14090551

COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)NCc4nc5ccccc5[nH]4)cc3[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ MELK Q14680 4/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PDE10A Q9Y233 2/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPSE Q9Y251 2/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL14090458 0.93 MELK (0.51) TSHRMAPK10MELKHDAC6SMN1; SMN2
SCHEMBL14090556 0.89 HDAC6 (0.44) TSHRMAPK10HDAC6PDE10A
SCHEMBL14090474 0.89 ROCK2 (0.47) HDAC6KDM4EROCK2
SCHEMBL14090553 0.88 HDAC6 (0.46) HDAC6SMN1; SMN2
SCHEMBL12833734 0.88 THRB (0.53) TSHRMAPK10KDM4EUSP2ALDH1A1
SCHEMBL12833849 0.88 TSHR (0.44) TSHRMAPK10MELKHDAC6KDM4E
SCHEMBL12834250 0.88 GUSB (0.45) TSHRMAPK10MELKHDAC6SMN1; SMN2
SCHEMBL12833780 0.86 HDAC6 (0.41) TSHRMAPK10HDAC6PDE10AHPSE
SCHEMBL1509594 0.86 HDAC6 (0.50) HDAC6
SCHEMBL14090450 0.86 ALDH1A1 (0.48) TSHRHDAC6SMN1; SMN2KDM4EUSP2

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 4 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
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

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 TSHR 2915/4885MAPK10 444/4885MELK 578/4885

“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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