SCHEMBL4040820

SCHEMBL4040820

[c]1nc2cc3c(cc2[nH]1)OCCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
RPS6KB2 Q9UBS0 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
USP2 O75604 3/20 0.33
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPK10 P53779 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 1/20 0.33
RIPK1 Q13546 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL1888555 0.67 KDM4E (0.34) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL31023941 0.67 MAPK10 (0.35) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL5766962 0.67 MAPT (0.48) NPC1RAB9AALDH1A1MAPTUSP2
SCHEMBL4038991 0.66 ADRA2A (0.33) KDM4E
SCHEMBL7068666 0.65 CHRNA1 (0.31)
SCHEMBL12109084 0.65 ALDH1A1 (0.43) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL8265473 0.64 CHRNB2 (0.45) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL25830578 0.64 FABP6 (0.52) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL30581403 0.64 QPCT (0.34) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL27382541 0.62 ITGB2 (0.53) NPC1RAB9AGAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 US claimed
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 US claimed
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 WO claimed
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 US disclosed
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 US disclosed
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 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-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders PRKDC, PRKACA, ABL1 NPC1 2265/4885RAB9A 1830/4885MEN1 2993/4885

“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.