SCHEMBL19969731

SCHEMBL19969731

CCC(C)(C)c1cn2ccnc2cn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
DYRK1A Q13627 2/20 0.33
NAMPT P43490 3/20 0.33
TGFBR1 P36897 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
MET P08581 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
SCHEMBL19969788 0.87 KEAP1 (0.35) KEAP1DYRK1ANAMPTMEN1CYP1A2
SCHEMBL10183355 0.82 DYRK1A (0.37) KEAP1DYRK1ANAMPTTGFBR1MEN1
SCHEMBL24574151 0.79 DYRK1A (0.35) KEAP1DYRK1ANAMPTTGFBR1MEN1
SCHEMBL29837274 0.75 NAMPT (0.40) KEAP1DYRK1ANAMPTTGFBR1MEN1
SCHEMBL24574341 0.74 NAMPT (0.34) KEAP1DYRK1ANAMPTTGFBR1MEN1
SCHEMBL22109454 0.73 KEAP1 (0.30) KEAP1
SCHEMBL20132528 0.73 KEAP1 (0.47) KEAP1DYRK1ATGFBR1MEN1CYP1A2
SCHEMBL24978834 0.72 KEAP1 (0.36) KEAP1DYRK1ATGFBR1MEN1CYP1A2
SCHEMBL12489380 0.72 MET (0.41) KEAP1DYRK1ANAMPTTGFBR1MEN1
SCHEMBL22077198 0.72 MET (0.31) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072717-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-15 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-20180072717-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK3 KEAP1 1720/4885DYRK1A 1149/4885NAMPT 1054/4885

“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.