SCHEMBL14009222

SCHEMBL14009222

COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)s2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.51
▸ CISD2 Q8N5K1 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ PLAU P00749 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ SIRT2 Q8IXJ6 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PKM P14618 2/20 0.43

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
SCHEMBL14009158 0.84 NPC1 (0.54) RXFP1CISD2LMNAKDM4ESMN1; SMN2
SCHEMBL14009284 0.83 CA1 (0.50) LMNAKDM4ESMN1; SMN2CA12CA1
SCHEMBL14009231 0.83 MAPT (0.52) CISD2LMNAKDM4ESMN1; SMN2CA12
SCHEMBL14009173 0.82 KLKB1 (0.57) LMNAKDM4ESMN1; SMN2CA12CA1
SCHEMBL14009166 0.81 HRH3 (0.49) LMNAKDM4ESMN1; SMN2CA12CA1
SCHEMBL14009330 0.81 MEN1 (0.52) CISD2LMNAKDM4ESMN1; SMN2CA12
SCHEMBL14009320 0.81 MEN1 (0.52) CISD2LMNASMN1; SMN2CA12CA1
SCHEMBL14009225 0.79 MAPKAPK2 (0.53) LMNAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL14009168 0.79 MAPT (0.57) LMNAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL14009239 0.78 RAB9A (0.56) LMNAKDM4ESMN1; SMN2CA12CA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
WO-2007022258-A1 NOVEL HIGH AFFINITY THIOPHENE-BASED AND FURAN-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 — — 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-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 RXFP1 4645/4885CISD2 545/4885LMNA 3745/4885

“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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