SCHEMBL694498

SCHEMBL694498

Cc1nc2c[c]ccc2n1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
PIK3CA P42336 8/20 0.41
MTOR P42345 5/20 0.41
ALDH1A1 P00352 1/20 0.39
PIK3CD O00329 6/20 0.39
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
CACNG2 Q9Y698 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
HKDC1 Q2TB90 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
SCHEMBL694397 0.84 MAPK1 (0.65) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL693769 0.84 MAPK1 (0.42) MAPK1HTTPIK3CAMTORALDH1A1
SCHEMBL694989 0.84 HPGD (0.45) MAPK1HTTPOLBALDH1A1KDM4E
SCHEMBL22507416 0.78 MAPK1 (0.74) MAPK1HTTPOLBPIK3CAALDH1A1
SCHEMBL3006093 0.73 ALDH1A1 (0.49) MAPK1HTTPOLBPIK3CAMTOR
SCHEMBL315552 0.72 KDM4E (0.46) HTTPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL15987567 0.71 MAPK1 (0.74) MAPK1HTTPOLBPIK3CAALDH1A1
SCHEMBL21235216 0.71 AOC3 (0.58)
SCHEMBL13495653 0.70 MAPK1 (0.66) MAPK1HTTPOLBPIK3CAMTOR
SCHEMBL695764 0.69 HCAR1 (0.44) HTTTP53

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 US claimed
EP-2629851-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2013-08-28 EP claimed
US-8513423-B2 Piperidin-4-yl-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
US-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-04-25 US claimed
WO-2012054716-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV. (BE) 2012-04-26 WO claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-07-18 US disclosed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US disclosed
US-20170239242-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS UNIVERSITÉ PARIS CITÉ (FR) 2017-08-24 US disclosed
EP-3197450-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-02 EP disclosed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US disclosed
US-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-04-25 US disclosed
WO-2012054716-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV. (BE) 2012-04-26 WO disclosed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US 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 (6 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP MAPK1 4196/4885HTT 4502/4885POLB 3008/4885
US-20170239242-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS LIPA, MGLL, PNLIP MAPK1 4196/4885HTT 4502/4885POLB 3008/4885
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS MGLL, LIPA, PNLIP MAPK1 4294/4885HTT 4424/4885POLB 3104/4885
US-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL MAPK1 4273/4885HTT 3115/4885POLB 2916/4885
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MAPK1 4259/4885HTT 2344/4885POLB 3221/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MAPK1 4496/4885HTT 2522/4885POLB 3399/4885

“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.