SCHEMBL17790192

SCHEMBL17790192

CNCc1ccc2nccn2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.62
NAMPT P43490 10/20 0.45
DYRK1A Q13627 2/20 0.45
MERTK Q12866 2/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
PAK1 Q13153 1/20 0.42
RET P07949 1/20 0.42
AXL P30530 1/20 0.41
FLT3 P36888 1/20 0.41
DAO P14920 1/20 0.41
MAP3K5 Q99683 1/20 0.40

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
SCHEMBL21099155 0.83 KEAP1 (0.58) KEAP1NAMPTDYRK1AMERTKMEN1
SCHEMBL17788633 0.83 KEAP1 (0.58) KEAP1NAMPTDYRK1AMERTKMEN1
SCHEMBL19764528 0.82 KEAP1 (0.57) KEAP1NAMPTDYRK1AMERTKPAK1
SCHEMBL74518 0.80 KEAP1 (0.68) KEAP1NAMPTDYRK1AMERTKMEN1
SCHEMBL17196187 0.79 KEAP1 (0.57) KEAP1NAMPTDYRK1AMERTKMEN1
Ammonia Solution, Strong SCHEMBL28922912 0.79 KEAP1 (0.66) KEAP1NAMPTDYRK1AMERTKMEN1
SCHEMBL15882447 0.78 NAMPT (0.59) KEAP1NAMPTRET
SCHEMBL24484881 0.77 KEAP1 (0.64) KEAP1DYRK1AMERTKMEN1CYP1A2
SCHEMBL14638413 0.77 KEAP1 (0.68) KEAP1NAMPTDYRK1AMERTKMEN1
SCHEMBL6092812 0.77 KEAP1 (1.00) KEAP1NAMPTDYRK1AMERTKMEN1

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
WO-2020252151-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2020-12-17 WO disclosed
EP-3247705-B1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF AS NAMPT INHIBITORS MILLENNIUM PHARM INC (US) 2019-11-20 EP disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 US disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 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 (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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 KEAP1 835/4885NAMPT 911/4885DYRK1A 463/4885
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT KEAP1 35/4885NAMPT 1/4885DYRK1A 3005/4885

“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.