SCHEMBL4040314

SCHEMBL4040314

CC(C)(C)OC(=O)N1CCn2c(-c3cccnc3)cc(C#N)c2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.45
GBA1 P04062 1/20 0.45
GPR119 Q8TDV5 10/20 0.44
NR1H2 P55055 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
NR1H3 Q13133 1/20 0.39
RET P07949 1/20 0.38
KDM1A O60341 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4039705 0.88 NR1H2 (0.42) KITGPR119NR1H2NR1H3
SCHEMBL4038931 0.85 GBA1 (0.49) KITGBA1GPR119NR1H2CYP3A4
SCHEMBL4039386 0.84 GPR119 (0.45) GPR119NR1H2NR1H3RET
SCHEMBL4041722 0.83 KIT (0.48) KITGBA1GPR119NR1H2CYP3A4
SCHEMBL4041480 0.83 GBA1 (0.49) KITGBA1GPR119NR1H2CYP3A4
SCHEMBL4038381 0.82 POLB (0.41) GPR119NR1H2NR1H3RETPOLB
SCHEMBL30736131 0.80 LMNA (0.52) GPR119NR1H2NR1H3RET
SCHEMBL4399119 0.79 NR1H2 (0.55) KITGBA1GPR119NR1H2CYP3A4
SCHEMBL4039078 0.79 CSNK1E (0.46) KITGBA1GPR119NR1H2CYP3A4
SCHEMBL4041240 0.77 NR1H2 (0.44) GPR119NR1H2NR1H3RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836165-A4 DIPYRROLE COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES GEMIN X PHARMACEUTICALS CANADA (CA) 2009-07-08 EP claimed
EP-1836165-A1 DIPYRROLE COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES Gemin X Biotechnologies Inc. (CA) 2007-09-26 EP claimed
WO-2006069441-A1 DIPYRROLE COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES GEMIN X BIOTECHNOLOGIES INC. (CA) 2006-07-06 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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 (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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 KIT 1838/4885GBA1 3350/4885GPR119 770/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS KIT 3656/4885GBA1 3189/4885GPR119 631/4885

“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.