SCHEMBL14009134

SCHEMBL14009134

O=C(NCc1cccnc1)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ NAMPT P43490 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ROCK2 O75116 1/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 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
SCHEMBL14009107 0.90 NAMPT (0.48) MEN1KMT2ANAMPTALDH1A1HTT
SCHEMBL14009116 0.90 HDAC3 (0.47) MEN1KMT2ANAMPTROCK2DHODH
SCHEMBL14009170 0.88 ROCK2 (0.43) NAMPTALDH1A1HTTLMNAROCK2
SCHEMBL14009214 0.85 HDAC1 (0.41) NAMPTLMNAROCK2
SCHEMBL14009123 0.83 HPGD (0.52) MEN1KMT2ANAMPTALDH1A1LMNA
SCHEMBL14009139 0.82 HDAC1 (0.49) MEN1KMT2ANAMPTLMNAROCK2
SCHEMBL14009163 0.81 ROCK1 (0.51) MEN1KMT2AALDH1A1KDM4E
SCHEMBL14009159 0.80 SMN1; SMN2 (0.43) ALDH1A1HTTLMNAROCK2KDM4E
SCHEMBL14009094 0.79 ROCK1 (0.42) KMT2ANAMPTALDH1A1HTTROCK2
SCHEMBL14009349 0.79 ROCK1 (0.46) MEN1KMT2AALDH1A1LMNAPOLB

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 MEN1 3348/4885KMT2A 806/4885NAMPT 1107/4885

“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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