SCHEMBL3537019

SCHEMBL3537019

CN1CCC(Nc2ccc3cn[nH]c3c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
HSD17B10 Q99714 2/20 0.71
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 1/20 0.71
APAF1 O14727 1/20 0.71
MAPT P10636 1/20 0.71
MAPK1 P28482 1/20 0.71
BLM P54132 1/20 0.71
KMT2A Q03164 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
ROCK2 O75116 13/20 0.54
CYP3A4 P08684 3/20 0.54
ROCK1 Q13464 9/20 0.53
CCR2 P41597 3/20 0.53
POLB P06746 1/20 0.52
AXL P30530 1/20 0.52
ITK Q08881 1/20 0.49
CDC7 O00311 1/20 0.49
WEE1 P30291 1/20 0.49
CYP1A2 P05177 1/20 0.47

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
SCHEMBL1716929 0.89 ROCK2 (0.66) ALDH1A1HSD17B10KDM4EMEN1APAF1
SCHEMBL5407042 0.82 ALDH1A1 (0.76) ALDH1A1HSD17B10KDM4EMEN1APAF1
Hydrochloric Acid SCHEMBL5407003 0.81 ALDH1A1 (0.74) ALDH1A1HSD17B10KDM4EMEN1APAF1
SCHEMBL5409256 0.79 ROCK2 (0.83) ALDH1A1HSD17B10KDM4EMEN1APAF1
Hydrochloric Acid SCHEMBL5409061 0.78 ROCK2 (0.82) ALDH1A1HSD17B10KDM4EMEN1APAF1
SCHEMBL1716330 0.76 ROCK2 (0.76) ROCK2CYP3A4ROCK1CCR2
SCHEMBL1716460 0.75 ROCK2 (0.71) ROCK2CYP3A4ROCK1CCR2
SCHEMBL5413349 0.75 ROCK2 (0.69) ROCK2CYP3A4ROCK1CCR2
SCHEMBL10262828 0.74 ROCK2 (0.67) ROCK2CYP3A4ROCK1CCR2
SCHEMBL3315343 0.74 POLB (0.50) ROCK2ROCK1POLBAXLITK

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 2 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-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 ALDH1A1 1562/4885HSD17B10 3933/4885KDM4E 2648/4885

“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.