SCHEMBL19294663

SCHEMBL19294663

C[C@H](CC#N)c1c(Cl)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.44
KIT P10721 2/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
POLB P06746 1/20 0.41
MAP4K4 O95819 1/20 0.40
KCNH2 Q12809 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
ADK P55263 1/20 0.38
MAPT P10636 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
RET P07949 1/20 0.37

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
SCHEMBL17634043 1.00 GPR119 (0.44) GPR119KITCNR1CNR2NR1H2
SCHEMBL17639258 0.88 GPR119 (0.44) GPR119KITCNR1CNR2NR1H2
SCHEMBL30368810 0.88 GPR119 (0.44) GPR119KITCNR1CNR2NR1H2
SCHEMBL22788420 0.88 GPR119 (0.44) GPR119KITCNR1CNR2NR1H2
SCHEMBL16624819 0.88 KIT (0.46) GPR119KITCNR1CNR2POLB
SCHEMBL16616053 0.86 KIT (0.47) GPR119KITCNR1CNR2NR1H2
SCHEMBL30776941 0.86 KIT (0.47) GPR119KITCNR1CNR2NR1H2
SCHEMBL15390338 0.86 KIT (0.47) GPR119KITCNR1CNR2NR1H2
SCHEMBL30776945 0.86 KIT (0.47) GPR119KITCNR1CNR2NR1H2
SCHEMBL17875510 0.85 KIT (0.44) GPR119KITCNR1CNR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2017-08-31 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 (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-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS PAK5, CDK5, PPIP5K2 GPR119 2698/4885KIT 428/4885CNR1 2949/4885

“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.