SCHEMBL25313697

SCHEMBL25313697

c1nc2cc3c(cc2[nH]1)NCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
PRKCI P41743 1/20 0.38
AR P10275 1/20 0.37
RAD52 P43351 1/20 0.37
MMP12 P39900 1/20 0.35
CYP3A4 P08684 1/20 0.34
NAMPT P43490 1/20 0.34
XDH P47989 1/20 0.34
QPCT Q16769 1/20 0.34
QPCTL Q9NXS2 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
SCHEMBL25310932 0.93 MAPT (0.44) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL10699834 0.83 MAPT (0.42) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL718877 0.78 MAPT (0.47) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL13154646 0.75 DRD2 (0.44) MAPTALDH1A1CHRNB2CHRNA4DRD2
SCHEMBL22495923 0.75 CA9 (0.42) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL9379485 0.73 KDM4E (0.46) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL19415553 0.73 MAPT (0.50) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL3589727 0.73 KDM4E (0.50) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL29339065 0.73 MAPT (0.50) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL30798763 0.71 MAPT (0.41) MAPTKDM4EALDH1A1APEX1RECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4466259-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
US-20240366581-A1 BENZIMIDAZOLE PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
WO-2023139084-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 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-20240366581-A1 BENZIMIDAZOLE PYRIDINE DERIVATIVES SIK3, JAK1, SIK2 MAPT 3318/4885KDM4E 1963/4885ALDH1A1 1189/4885

“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.