SCHEMBL4834115

SCHEMBL4834115

Nc1ccccc1Cc1nc2cc(-c3[nH]cnc3-c3ccccc3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 2/20 0.44
IDO1 P14902 4/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 5/20 0.38
GAA P10253 3/20 0.36
PKM P14618 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL4834100 0.92 MAPT (0.44) MAPTCYP3A4KDM4EIDO1LMNA
SCHEMBL5772038 0.76 CYP3A4 (0.54) MAPTCYP3A4KDM4EIDO1MAPK14
SCHEMBL6209780 0.75 MAPK14 (0.41) MAPTCYP3A4KDM4EIDO1MAPK14
SCHEMBL18041623 0.71 CYP3A4 (0.54) MAPTCYP3A4KDM4EIDO1NPC1
SCHEMBL4839676 0.69 MAPK14 (0.67) CYP3A4MAPK14
SCHEMBL19884911 0.67 GAA (0.66) MAPTKDM4ELMNANPC1RAB9A
SCHEMBL5772031 0.66 MAPK14 (0.59) MAPTCYP3A4KDM4EIDO1NPC1
SCHEMBL18041950 0.66 GSK3B (0.63) MAPTCYP3A4KDM4EIDO1
SCHEMBL31733885 0.66 CACNA1H (0.46) MAPTKDM4ELMNANPC1RAB9A
SCHEMBL18041640 0.65 PI4KA (0.63) MAPTCYP3A4KDM4EIDO1LMNA

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 1235/4885CYP3A4 2862/4885KDM4E 2781/4885

“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.