SCHEMBL14009080

SCHEMBL14009080

COc1ccc(N(C)C(=O)c2ccc(C(=O)Nc3ccc(-n4cncn4)cc3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ SELE P16581 1/20 0.41
▸ VCAM1 P19320 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ SNCA P37840 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
SCHEMBL14008925 0.90 SMN1; SMN2 (0.54) MAPTSMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL14009121 0.88 ROCK1 (0.43) MAPTKDM4EKMT2AHTTMAPK10
SCHEMBL14009071 0.87 MAPT (0.42) MAPTSMN1; SMN2LMNAKDM4EHTT
SCHEMBL14009082 0.81 MAPT (0.53) MAPTSMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL14009219 0.81 KMT2A (0.53) MAPTSMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL14009015 0.80 MAPT (0.46) MAPTSMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL14009096 0.79 F10 (0.49) MAPTSMN1; SMN2LMNAKDM4EICAM1
SCHEMBL14009111 0.79 F10 (0.49) MAPTSMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL14609404 0.78 ROCK1 (0.45) MAPTSMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL14009215 0.78 KMT2A (0.49) MAPTSMN1; SMN2LMNAKDM4EKMT2A

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 2145/4885SMN1; SMN2 2211/4885LMNA 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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