SCHEMBL4536618

SCHEMBL4536618

O=Cc1cccc(-n2ccnn2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.63
KEAP1 Q14145 1/20 0.58
FGFR1 P11362 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNJ1 P48048 1/20 0.38

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
SCHEMBL14961974 0.82 NOTUM (0.75) NOTUMKEAP1
SCHEMBL1124165 0.79 KCNJ1 (0.59) NOTUMKEAP1ALDH1A1KDM4EMAPK1
SCHEMBL17683908 0.78 NOTUM (0.53) NOTUMKEAP1
SCHEMBL1663339 0.78 ALDH1A1 (0.67) NOTUMFGFR1ALDH1A1KDM4EMAPK1
SCHEMBL29957504 0.78 ALDH1A1 (0.67) NOTUMFGFR1ALDH1A1KDM4EMAPK1
Formic Acid SCHEMBL31245634 0.78 NOTUM (0.59) NOTUMKEAP1
SCHEMBL1336092 0.77 NOTUM (1.00) NOTUMKEAP1
SCHEMBL2733044 0.77 NOTUM (0.64) NOTUMKEAP1
SCHEMBL4551302 0.77 KCNJ1 (0.67) NOTUMFGFR1KCNJ1
SCHEMBL11410355 0.74 NOTUM (0.64) NOTUMKEAP1FGFR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
EP-0011092-A1 Alpha-aminophenylacetic acid derivatives for use in the treatment of inflammations and novel alpha-aminophenylacetic acid derivatives BAYER AG (DE) 1980-05-28 EP 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 (1 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R NOTUM 1419/4885KEAP1 853/4885FGFR1 458/4885

“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.