SCHEMBL4834100

SCHEMBL4834100

Nc1ccccc1Cc1nc2ccc(-c3[nH]cnc3-c3ccccc3)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.44
GAA P10253 2/20 0.43
PKM P14618 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
IDO1 P14902 3/20 0.39
MAPK14 Q16539 4/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TSHR P16473 1/20 0.39
F2 P00734 3/20 0.38
F10 P00742 3/20 0.38
F7 P08709 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL4834115 0.92 MAPT (0.44) MAPTKDM4ECYP3A4GAAPKM
SCHEMBL18041623 0.81 CYP3A4 (0.54) MAPTKDM4ECYP3A4GAATDP1
SCHEMBL6209780 0.77 MAPK14 (0.41) MAPTKDM4ECYP3A4IDO1MAPK14
SCHEMBL5772031 0.76 MAPK14 (0.59) MAPTKDM4ECYP3A4GAAIDO1
SCHEMBL18041756 0.72 RAB9A (0.57) MAPTKDM4ECYP3A4GAAIDO1
SCHEMBL4839676 0.71 MAPK14 (0.67) CYP3A4MAPK14
SCHEMBL18041640 0.68 PI4KA (0.63) MAPTKDM4ECYP3A4GAAIDO1
SCHEMBL5772038 0.66 CYP3A4 (0.54) MAPTKDM4ECYP3A4IDO1MAPK14
SCHEMBL18041648 0.66 TGFBR1 (0.66) MAPTKDM4ECYP3A4IDO1MAPK14
SCHEMBL224770 0.65 KDM4E (1.00) MAPTKDM4ECYP3A4GAAIDO1

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-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 MAPT 1235/4885KDM4E 2781/4885CYP3A4 2862/4885

“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.