SCHEMBL4042314

SCHEMBL4042314

N#Cc1c(C(N)=O)c2n(c1-c1ccccc1)CCNC2OC(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 4/20 0.33
▸ HTR2A P28223 2/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ PARP1 P09874 2/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL4036267 0.85 CSNK1E (0.36) CSNK1EHTR2AHTR2CPARP1
SCHEMBL4039396 0.82 — —
SCHEMBL4044863 0.75 SCN9A (0.34) PARP1ALDH1A1
Trifluoroacetic Acid SCHEMBL4042312 0.74 HTR2A (0.40) CSNK1EHTR2AHTR2CPARP1KDM1A
SCHEMBL4037874 0.70 — —
SCHEMBL4042066 0.66 — —
Trifluoroacetic Acid SCHEMBL4036656 0.66 MKNK1 (0.36) CSNK1EHTR2AHTR2C
SCHEMBL4036480 0.65 CSNK1E (0.31) CSNK1E
SCHEMBL6421096 0.65 HTR3A (0.35) KDM1AALDH1A1
SCHEMBL4038604 0.63 CSNK1E (0.46) CSNK1E

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 CSNK1E 136/4885HTR2A 3774/4885HTR2C 3204/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CSNK1E 243/4885HTR2A 2366/4885HTR2C 1977/4885

“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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