SCHEMBL17101892

SCHEMBL17101892

CC(C)(C)OC(=O)NC1CC(C#N)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.40
BACE1 P56817 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.38
CTSK P43235 2/20 0.38
CASP1 P29466 1/20 0.38
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
MDM2 Q00987 1/20 0.37
F10 P00742 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
EPHX2 P34913 2/20 0.36

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
SCHEMBL14428332 0.90 KMT2A (0.44) BACE1KMT2AL3MBTL1HSD11B1CASP1
SCHEMBL1913212 0.86 KMT2A (0.43) KCNA3BACE1KMT2AL3MBTL1CASP1
SCHEMBL1913192 0.86 KMT2A (0.43) KCNA3BACE1KMT2AL3MBTL1CASP1
SCHEMBL1913190 0.86 KMT2A (0.43) KCNA3BACE1KMT2AL3MBTL1CASP1
SCHEMBL1913332 0.86 KMT2A (0.43) KCNA3BACE1KMT2AL3MBTL1CASP1
SCHEMBL8249851 0.85 KMT2A (0.40) BACE1KMT2AL3MBTL1HSD11B1CASP1
SCHEMBL19180879 0.85 KMT2A (0.40) BACE1KMT2AL3MBTL1HSD11B1CASP1
SCHEMBL17101876 0.84 KCNA3 (0.44) KCNA3KMT2AL3MBTL1CTSKKDM1A
SCHEMBL17101875 0.83 KMT2A (0.41) KCNA3BACE1KMT2AL3MBTL1HSD11B1
SCHEMBL3489490 0.82 HSD11B1 (0.50) KCNA3HSD11B1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771360-B2 Cyano-substituted imidazo[1,2-A]pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-26 US disclosed
US-20170217954-A1 CYANO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-03 US disclosed
EP-3119777-A1 CYANO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-01-25 EP disclosed
WO-2015140199-A1 CYANO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-24 WO 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-20170217954-A1 CYANO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AADAC, TNNI3, PCCA KCNA3 938/4885BACE1 3589/4885KMT2A 1948/4885

“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.