SCHEMBL4044863

SCHEMBL4044863

NC(=O)c1cc(-c2ccccc2)n2c1C(OC(=O)C(F)(F)F)NCC2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.34
▸ CDC7 O00311 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ IKBKB O14920 2/20 0.30
▸ CHUK O15111 1/20 0.30
▸ BCAT2 O15382 1/20 0.30
▸ MAP2K1 Q02750 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30
▸ DYRK1B Q9Y463 1/20 0.30
▸ JAK2 O60674 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL4038938 0.72 HTR2A (0.37) CDC7KDM4EALDH1A1HPGDMAPK1
SCHEMBL4037874 0.67 — —
SCHEMBL4042066 0.65 — —
SCHEMBL6422817 0.63 HTR3A (0.34) ALDH1A1HPGDHSD17B10
SCHEMBL4036480 0.62 CSNK1E (0.31) —
SCHEMBL6425713 0.61 IDO1 (0.41) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20541071 0.61 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10CLK4
SCHEMBL6421114 0.60 TP53 (0.40) KDM4EALDH1A1HPGDHSD17B10
Benzamide SCHEMBL4259148 0.59 KMT2A (0.41) KDM4EHSD17B10PARP1
SCHEMBL4782634 0.58 PNMT (0.38) KDM4EALDH1A1HPGDMAPK1HSD17B10

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 6 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-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 SCN9A 4227/4885CDC7 229/4885KDM4E 2836/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS SCN9A 2900/4885CDC7 541/4885KDM4E 2452/4885

“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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