SCHEMBL14009071

SCHEMBL14009071

COc1ccc(N(C)C(=O)c2ccc(C(=O)Nc3ccc(-n4cncn4)cc3)s2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ ICAM1 P05362 1/20 0.40
▸ SELE P16581 1/20 0.40
▸ VCAM1 P19320 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SNCA P37840 1/20 0.39
▸ S1PR1 P21453 1/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL14009080 0.87 MAPT (0.45) MAPTICAM1SELEVCAM1SMN1; SMN2
SCHEMBL14009015 0.86 MAPT (0.46) MAPTICAM1SELEVCAM1SMN1; SMN2
SCHEMBL14008925 0.84 SMN1; SMN2 (0.54) MAPTICAM1SELEVCAM1SMN1; SMN2
SCHEMBL14008933 0.81 MAPT (0.45) MAPTICAM1SELEVCAM1SMN1; SMN2
SCHEMBL14009219 0.81 KMT2A (0.53) MAPTSMN1; SMN2LMNAKDM4EHPGD
SCHEMBL14009121 0.79 ROCK1 (0.43) MAPTICAM1SELEVCAM1KDM4E
SCHEMBL14009096 0.79 F10 (0.49) MAPTICAM1SELEVCAM1SMN1; SMN2
SCHEMBL14009111 0.79 F10 (0.49) MAPTICAM1SELEVCAM1SMN1; SMN2
SCHEMBL14009215 0.77 KMT2A (0.49) MAPTICAM1SELEVCAM1SMN1; SMN2
SCHEMBL14009118 0.75 S1PR1 (0.50) MAPTICAM1SELEVCAM1SMN1; SMN2

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 MAPT 2145/4885ICAM1 4295/4885SELE 4030/4885

“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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