SCHEMBL14009254

SCHEMBL14009254

O=C(Nc1ccc(-n2cncn2)cc1)c1ccc(NC(=O)C2CCCCC2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ NPC1 O15118 6/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ CCR3 P51677 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14008956 0.82 SMYD3 (0.48) KDM4EL3MBTL1ALDH1A1NPC1S1PR1
SCHEMBL14009299 0.79 ROCK1 (0.52) KDM4EHTTALDH1A1NPC1S1PR1
SCHEMBL14009275 0.79 MEN1 (0.50) KDM4EHTTL3MBTL1ALDH1A1NPC1
SCHEMBL14008976 0.78 KDM4E (0.45) KDM4EHTTL3MBTL1ALDH1A1NPC1
SCHEMBL14009076 0.77 HTT (0.53) KDM4EHTTL3MBTL1ALDH1A1NPC1
SCHEMBL14009058 0.77 ROCK1 (0.51) KDM4EHTTALDH1A1NPC1PTPN1
SCHEMBL14009228 0.76 TYK2 (0.46) KDM4EL3MBTL1ALDH1A1NPC1ROCK1
SCHEMBL14009250 0.75 MAPT (0.53) L3MBTL1ALDH1A1NPC1CTSLCTSS
SCHEMBL14009028 0.73 MAPT (0.55) KDM4EALDH1A1NPC1CTSLCTSS
SCHEMBL2350655 0.73 MAPK14 (0.59) KDM4EHTTL3MBTL1ROCK1

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 KDM4E 638/4885HTT 2605/4885L3MBTL1 3370/4885

“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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