SCHEMBL8533508

SCHEMBL8533508

CCc1cnc(N2CCC(Nc3ccc(-n4ccc5cc(C(=O)N(C)C)ccc54)nc3)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 2/20 0.38
CCNH P51946 2/20 0.38
MNAT1 P51948 2/20 0.38
GPR119 Q8TDV5 8/20 0.38
HRH3 Q9Y5N1 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
IDH1 O75874 3/20 0.35
SCN9A Q15858 1/20 0.35
HDAC3 O15379 1/20 0.35
PDE5A O76074 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 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
CCNA2 P20248 1/20 0.35
PLK1 P53350 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
SCHEMBL8538034 0.93 HRH3 (0.40) CDK7CCNHMNAT1GPR119HRH3
SCHEMBL15253207 0.87 GPR119 (0.42) GPR119IDH1PLK1PLK2
SCHEMBL15253475 0.85 CDK7 (0.40) CDK7CCNHMNAT1HRH3CDK2
SCHEMBL15253263 0.85 CDK7 (0.40) CDK7CCNHMNAT1HRH3CDK12
SCHEMBL8512481 0.84 CDK7 (0.38) CDK7CCNHMNAT1HRH3CDK12
SCHEMBL8532464 0.84 CDK7 (0.41) CDK7CCNHMNAT1HRH3CDK12
SCHEMBL8511975 0.84 SCN9A (0.46) GPR119HRH3SCN9APLA2G4A
SCHEMBL8514823 0.84 GPR119 (0.46) GPR119HRH3SCN9APLA2G4A
SCHEMBL15253258 0.84 CYP3A4 (0.40) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL8532768 0.84 CDK7 (0.40) CDK7CCNHMNAT1HRH3CDK12

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 9 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
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 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-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 CDK7 3858/4885CCNH 4657/4885MNAT1 2225/4885

“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.