SCHEMBL665957

SCHEMBL665957

CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3cccc(C#N)c3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.57
CRBN Q96SW2 1/20 0.57
WNT3A P56704 1/20 0.50
JAK3 P52333 2/20 0.49
JAK2 O60674 1/20 0.49
PTK2 Q05397 1/20 0.49
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
NAMPT P43490 1/20 0.46
LCK P06239 1/20 0.46
BTK Q06187 1/20 0.46
GPR119 Q8TDV5 8/20 0.46
FASN P49327 2/20 0.44
RET P07949 1/20 0.44
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL16835054 0.81 DDB1 (0.51) DDB1CRBNWNT3AJAK3JAK2
SCHEMBL3163972 0.80 GPR119 (0.54) JAK3JAK2PTK2NAMPTGPR119
SCHEMBL25964904 0.80 MAOB (0.62) KDM1AMAOB
SCHEMBL29538073 0.80 DDB1 (0.56) DDB1CRBNWNT3AJAK2NAMPT
SCHEMBL28401115 0.78 DDB1 (0.69) DDB1CRBNWNT3AJAK3JAK2
SCHEMBL377671 0.78 ALDH1A1 (0.58) DDB1CRBNGPR119CYP2D6HSD17B10
SCHEMBL30011373 0.78 KDM1A (0.58) KDM1AMAOB
SCHEMBL12489357 0.77 GPR119 (0.60) DDB1CRBNWNT3AJAK3JAK2
SCHEMBL29980570 0.77 GPR119 (0.60) DDB1CRBNWNT3AJAK3JAK2
SCHEMBL22324899 0.77 DDB1 (0.67) DDB1CRBNWNT3AJAK3JAK2

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-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-8637532-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 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-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC DDB1 310/4885CRBN 642/4885WNT3A 4292/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC DDB1 310/4885CRBN 642/4885WNT3A 4292/4885

“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.