SCHEMBL14009204

SCHEMBL14009204

O=C(NCCc1ccccn1)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.48
▸ CNR1 P21554 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NR2E3 Q9Y5X4 1/20 0.40

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
SCHEMBL14009123 0.91 HPGD (0.52) NAMPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL14009139 0.86 HDAC1 (0.49) NAMPTCNR1SMN1; SMN2MAPTNPC1
SCHEMBL14009240 0.84 NPC1 (0.41) NAMPTNPC1RAB9AROCK1
SCHEMBL14009130 0.84 RAB9A (0.41) NAMPTNPC1RAB9AROCK1
SCHEMBL14009117 0.83 NPC1 (0.52) NAMPTSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL14009107 0.83 NAMPT (0.48) NAMPTSMN1; SMN2NPC1RAB9AROCK1
SCHEMBL14009163 0.81 ROCK1 (0.51) SMN1; SMN2MAPTNPC1RAB9AROCK1
SCHEMBL14009116 0.80 HDAC3 (0.47) NAMPTMAPTNPC1ROCK1MEN1
SCHEMBL14009098 0.79 MAPK1 (0.48) NAMPTNPC1RAB9AROCK1HTT
SCHEMBL14009170 0.78 ROCK2 (0.43) NAMPTROCK1HTTALDH1A1

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-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

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 NAMPT 1107/4885CNR1 2487/4885TAS1R3 3949/4885

“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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