Sugi Predict

Sugi Predict / Compounds / SCHEMBL4036720

SCHEMBL4036720

SCHEMBL4036720

NC(=O)c1c(Cl)c(-c2ccccc2)n2c1CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MMP8 P22894 2/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ CSNK1E P49674 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ GCK P35557 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 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
SCHEMBL4044206 0.90 KMT2A (0.42) CSNK1EALDH1A1GAAPKM
SCHEMBL4037080 0.90 HTT (0.48) GBA1CSNK1EALDH1A1LMNAGAA
SCHEMBL4036841 0.89 CYP11B1 (0.42) GBA1L3MBTL1CSNK1EALDH1A1CCR6
SCHEMBL4041961 0.89 PKM (0.47) GBA1ALDH1A1MAPK1GAAPKM
SCHEMBL4043222 0.89 GBA1 (0.42) GBA1L3MBTL1ALDH1A1LMNAPKM
SCHEMBL4047940 0.87 LSS (0.37) GBA1CSNK1ECYP2D6USP2
SCHEMBL4045127 0.87 GBA1 (0.46) GBA1L3MBTL1ALDH1A1LMNAGAA
SCHEMBL4036996 0.87 SMN1; SMN2 (0.39) GBA1CSNK1EALDH1A1GAA
SCHEMBL4046474 0.87 CSNK1E (0.41) CSNK1E
SCHEMBL13964081 0.85 KMT2A (0.37) CSNK1EPKMUSP2

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-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-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 — — US 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 GBA1 3350/4885L3MBTL1 1498/4885MMP8 1842/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS GBA1 3189/4885L3MBTL1 1171/4885MMP8 1228/4885

“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.