SCHEMBL3541944

SCHEMBL3541944

Cn1c(-c2n[nH]c3cc(F)c(F)cc23)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
GAA P10253 5/20 0.46
LMNA P02545 4/20 0.46
PAX8 Q06710 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RPS6KB1 P23443 1/20 0.44
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 8/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
PKM P14618 4/20 0.42
TP53 P04637 4/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 1/20 0.42
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL3540321 0.86 MAP2K4 (0.55) KDM4EGAALMNAPAX8MEN1
SCHEMBL3533928 0.82 ADORA1 (0.44) KDM4EGAALMNAPAX8MEN1
SCHEMBL3539742 0.81 SMN1; SMN2 (0.44) KDM4EGAALMNAPAX8MEN1
SCHEMBL3537120 0.81 TRPA1 (0.48) KDM4EGAALMNAPAX8MEN1
SCHEMBL3534827 0.80 LRRK2 (0.42) KDM4EGAALMNAPAX8MEN1
SCHEMBL3540984 0.80 RPS6KB1 (0.44) KDM4EGAALMNAPAX8MEN1
SCHEMBL3538380 0.79 SCN9A (0.45) KDM4EGAALMNAPAX8MEN1
SCHEMBL3537258 0.78 ITK (0.53) KDM4EGAALMNAPAX8MEN1
SCHEMBL3537456 0.78 ITK (0.53) KDM4EGAALMNAPAX8MEN1
SCHEMBL3536897 0.78 KDM4E (0.43) KDM4EGAALMNAPAX8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK KDM4E 2648/4885GAA 1060/4885LMNA 2670/4885

“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.