SCHEMBL14090480

SCHEMBL14090480

COc1ccc2nc(CCNC(=O)c3ccc4nc(-c5cc(-c6cccnc6OC)ccc5O)[nH]c4c3)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 1/20 0.52
▸ THRB P10828 1/20 0.50
▸ PARP1 P09874 1/20 0.47
▸ NAMPT P43490 2/20 0.46
▸ F2 P00734 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ PLG P00747 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ PLAT P00750 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ FLT3 P36888 2/20 0.45
▸ CHEK2 O96017 1/20 0.44
▸ MELK Q14680 3/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DGAT2 Q96PD7 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) F9F2F10PLGPLAU
SCHEMBL12833734 0.89 THRB (0.53) THRBNAMPTKDM4EMAPTMAPK1
SCHEMBL14090574 0.88 MMP2 (0.46) NAMPTF2F10PLGPLAU
SCHEMBL14090508 0.87 TRPV1 (0.54) NAMPTHDAC6
SCHEMBL14090529 0.87 NAMPT (0.47) NAMPTHDAC6
SCHEMBL14090467 0.86 NAMPT (0.43) NAMPTFLT3ROCK2HDAC6
SCHEMBL14090534 0.86 NAMPT (0.43) NAMPTFLT3HDAC6
SCHEMBL14090452 0.86 HDAC6 (0.46) NAMPTF2F10PLGPLAU
SCHEMBL14090543 0.86 HDAC6 (0.48) NAMPTF2F10PLGPLAU
SCHEMBL14090493 0.86 POLB (0.54) NAMPTCHEK2ROCK2HDAC6MAPT

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 F9 4669/4885THRB 2950/4885PARP1 2051/4885

“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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