SCHEMBL8538034

SCHEMBL8538034

CCc1ccc(N2CCC(Nc3ccc(-n4ccc5cc(C(=O)N(C)C)ccc54)nc3)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
CDK7 P50613 2/20 0.39
CCNH P51946 2/20 0.39
MNAT1 P51948 2/20 0.39
GPR119 Q8TDV5 1/20 0.37
IDH1 O75874 3/20 0.37
JAK3 P52333 3/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
PLA2G4A P47712 1/20 0.36
MCHR1 Q99705 2/20 0.35
KCNH2 Q12809 1/20 0.35
CDK2 P24941 2/20 0.35
JUN P05412 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MLNR O43193 1/20 0.35
CCNA2 P20248 1/20 0.35
PDE7A Q13946 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL8533508 0.93 CDK7 (0.38) HRH3CDK7CCNHMNAT1GPR119
SCHEMBL15253475 0.86 CDK7 (0.40) HRH3CDK7CCNHMNAT1PLA2G4A
SCHEMBL15253263 0.85 CDK7 (0.40) HRH3CDK7CCNHMNAT1JAK3
SCHEMBL8532464 0.85 CDK7 (0.41) HRH3CDK7CCNHMNAT1JAK3
SCHEMBL8512481 0.85 CDK7 (0.38) HRH3CDK7CCNHMNAT1JAK3
SCHEMBL15253366 0.85 ROCK2 (0.44) JAK3JAK2JAK1MCHR1KCNH2
SCHEMBL15253422 0.84 CDK7 (0.42) HRH3CDK7CCNHMNAT1PLA2G4A
SCHEMBL8532768 0.84 CDK7 (0.40) HRH3CDK7CCNHMNAT1JAK3
SCHEMBL15253264 0.84 KDM2B (0.42) HRH3CDK7CCNHMNAT1JAK3
SCHEMBL8511778 0.84 CDK7 (0.43) HRH3CDK7CCNHMNAT1CDK2

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-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US claimed
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP claimed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US claimed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO claimed

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-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 HRH3 479/4885CDK7 3858/4885CCNH 4657/4885

“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.