SCHEMBL21361934

SCHEMBL21361934

COC(=O)c1cn(CCI)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRM2 Q14416 1/20 0.38
ADAMTS5 Q9UNA0 2/20 0.37
MAPK1 P28482 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
SYK P43405 1/20 0.35
FGFR1 P11362 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL2282033 0.85 CPB2 (0.45) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL15775548 0.84 MEN1 (0.43) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL20139133 0.83 MEN1 (0.42) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL26813651 0.83 CPB2 (0.45) MEN1KMT2AGRM2ADAMTS5SMYD3
SCHEMBL26813648 0.83 CPB2 (0.42) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL7425205 0.81 SMYD3 (0.50) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL5726708 0.81 CPB2 (0.45) MEN1KMT2AGRM2SMYD3CPB2
SCHEMBL26641301 0.81 KDM5A (0.47) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL28579686 0.81 MEN1 (0.41) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL24842800 0.80 MEN1 (0.40) MEN1KMT2AGRM2ADAMTS5MAPK1

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-10744155-B2 Inhibitors of ADAMTS4 or ADAMTS5 for use in preventing or treating cardiac remodeling and chronic heart failure UNIVERSITETET I OSLO (NO) 2020-08-18 US disclosed
US-20190282606-A1 INHIBITORS OF ADAMTS4 OR ADAMTS5 FOR USE IN PREVENTING OR TREATING CARDIAC REMODELING AND CHRONIC HEART FAILURE UNIVERSITETET I OSLO (NO) 2019-09-19 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-20190282606-A1 INHIBITORS OF ADAMTS4 OR ADAMTS5 FOR USE IN PREVENTING OR TREATING CARDIAC REMODELING AND CHRONIC HEART FAILURE ADAMTS5, ADAMTS4, ADAMTS1 MEN1 3006/4885KMT2A 2260/4885GRM2 3161/4885
US-10744155-B2 Inhibitors of ADAMTS4 or ADAMTS5 for use in preventing or treating cardiac remodeling and chronic heart failure ADAMTS5, ADAMTS4, ADAMTS1 MEN1 3006/4885KMT2A 2260/4885GRM2 3161/4885

“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.