SCHEMBL2535366

SCHEMBL2535366

[CH2]Cc1ccc2nccn2c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.68
DYRK1A Q13627 2/20 0.49
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
RET P07949 2/20 0.45
DAO P14920 1/20 0.44
MERTK Q12866 5/20 0.43
CPB2 Q96IY4 1/20 0.43
NAMPT P43490 4/20 0.42
AXL P30530 4/20 0.41
FLT3 P36888 4/20 0.41
HDAC1 Q13547 1/20 0.40
MET P08581 1/20 0.39
PIK3CG P48736 1/20 0.38

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
SCHEMBL14638413 0.81 KEAP1 (0.68) KEAP1DYRK1AMEN1CYP1A2KMT2A
SCHEMBL14554770 0.81 KEAP1 (0.68) KEAP1DYRK1AMEN1CYP1A2KMT2A
SCHEMBL74518 0.81 KEAP1 (0.68) KEAP1DYRK1AMEN1CYP1A2KMT2A
SCHEMBL2049672 0.81 KEAP1 (0.68) KEAP1DYRK1AMEN1CYP1A2KMT2A
SCHEMBL6092812 0.81 KEAP1 (1.00) KEAP1DYRK1AMEN1CYP1A2KMT2A
SCHEMBL24494597 0.81 KEAP1 (0.68) KEAP1DYRK1AMEN1CYP1A2KMT2A
SCHEMBL28903901 0.80 KEAP1 (0.62) KEAP1DYRK1AMEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL17184538 0.79 KEAP1 (0.96) KEAP1DYRK1AMEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL23201169 0.79 KEAP1 (0.96) KEAP1DYRK1AMEN1CYP1A2KMT2A
Ammonia Solution, Strong SCHEMBL28922912 0.79 KEAP1 (0.66) KEAP1DYRK1AMEN1CYP1A2KMT2A

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-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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 (2 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 KEAP1 2115/4885DYRK1A 1812/4885MEN1 1981/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 KEAP1 1678/4885DYRK1A 954/4885MEN1 1602/4885

“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.