SCHEMBL4041961

SCHEMBL4041961

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHRNB2 P17787 3/20 0.42
▸ CHRNB4 P30926 3/20 0.42
▸ CHRNA3 P32297 3/20 0.42
▸ CHRNA4 P43681 3/20 0.42
▸ GPR183 P32249 2/20 0.41
▸ GBA1 P04062 2/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 1/20 0.39

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 0.93 KMT2A (0.42) PKMALDH1A1MEN1KMT2AGAA
SCHEMBL4043222 0.92 GBA1 (0.42) PKMALDH1A1MEN1KMT2AGBA1
SCHEMBL4036996 0.90 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2AGBA1GAA
SCHEMBL4045127 0.90 GBA1 (0.46) PKMALDH1A1MEN1KMT2AGBA1
SCHEMBL4036720 0.89 GBA1 (0.43) PKMALDH1A1HPGDGBA1MAPK1
SCHEMBL13964081 0.88 KMT2A (0.37) PKMMEN1KMT2AUSP2TSHR
SCHEMBL4047940 0.88 LSS (0.37) KMT2AGBA1USP2TSHR
SCHEMBL4046713 0.87 LMNA (0.46) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL4039508 0.87 FAAH (0.47) ALDH1A1KDM4EMEN1KMT2AGBA1
SCHEMBL4040943 0.87 GBA1 (0.43) PKMALDH1A1KDM4EMEN1KMT2A

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-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 — — EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 — — EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 — — 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 PKM 1068/4885ALDH1A1 3369/4885HPGD 2468/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS PKM 3366/4885ALDH1A1 4117/4885HPGD 3510/4885

“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.

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