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Sugi Predict / Compounds / SCHEMBL4046090

SCHEMBL4046090

SCHEMBL4046090

CC(C)(C)OC(=O)N1CCn2c(c(I)c(C#N)c2-c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.41
▸ CKS1B P61024 2/20 0.40
▸ SKP1 P63208 2/20 0.40
▸ SKP2 Q13309 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.38
▸ GPR119 Q8TDV5 4/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ ESR2 Q92731 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ NAMPT P43490 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
SCHEMBL4041790 0.88 NR1H2 (0.41) NR1H2CKS1BSKP1SKP2MAPK1
SCHEMBL4038604 0.86 CSNK1E (0.46) NR1H2
SCHEMBL4041480 0.80 GBA1 (0.49) NR1H2CKS1BSKP1SKP2MAPK1
SCHEMBL4036821 0.78 NR1H2 (0.48) NR1H2CKS1BSKP1SKP2MAPK1
SCHEMBL4039705 0.77 NR1H2 (0.42) NR1H2CKS1BSKP1SKP2MAPK1
SCHEMBL4039078 0.76 CSNK1E (0.46) NR1H2GPR119GBA1KIT
SCHEMBL30736463 0.74 ALDH1A1 (0.51) NR1H2GPR119
SCHEMBL4038552 0.74 CSNK1E (0.52) NR1H2
SCHEMBL4038918 0.73 SQOR (0.44) NR1H2MAPK1GPR119
SCHEMBL1173978 0.71 CKS1B (0.49) NR1H2CKS1BSKP1SKP2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 — — EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 — — EP disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 — — WO 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 NR1H2 398/4885CKS1B 137/4885SKP1 434/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS NR1H2 322/4885CKS1B 58/4885SKP1 790/4885

“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.