SCHEMBL14009228

SCHEMBL14009228

Cc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ ROCK1 Q13464 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CRACR2A Q9BSW2 1/20 0.41

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
SCHEMBL14009299 0.85 ROCK1 (0.52) TYK2MAPTNPC1RAB9AALDH1A1
SCHEMBL14009303 0.85 MAPT (0.45) TYK2MAPTNPC1RAB9AALDH1A1
SCHEMBL14008995 0.83 KDM4E (0.53) MAPTNPC1RAB9AALDH1A1GAA
SCHEMBL14009058 0.81 ROCK1 (0.51) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14009275 0.81 MEN1 (0.50) MAPTNPC1RAB9AALDH1A1GAA
SCHEMBL14009250 0.79 MAPT (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14009050 0.78 MAPT (0.50) TYK2MAPTNPC1RAB9AALDH1A1
SCHEMBL14009076 0.77 HTT (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14609616 0.77 ROCK1 (0.48) TYK2MAPTNPC1RAB9AALDH1A1
SCHEMBL14009028 0.76 MAPT (0.55) MAPTNPC1RAB9AALDH1A1SMN1; 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 TYK2 290/4885MAPT 2145/4885NPC1 4547/4885

“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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