SCHEMBL1507133

SCHEMBL1507133

CNC(=O)c1cnccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.65
ROCK1 Q13464 1/20 0.65
NUDT1 P36639 1/20 0.52
CASP1 P29466 1/20 0.49
PIM1 P11309 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
FLT3 P36888 1/20 0.44
PIM3 Q86V86 1/20 0.44
BAD Q92934 1/20 0.44
CYP11B2 P19099 1/20 0.44
TYK2 P29597 3/20 0.44
JAK2 O60674 2/20 0.44
KDM4C Q9H3R0 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
JAK1 P23458 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL1418234 0.85 NUDT1 (0.49) ROCK2ROCK1NUDT1CASP1PIM1
SCHEMBL30843210 0.85 NUDT1 (0.49) ROCK2ROCK1NUDT1CASP1PIM1
SCHEMBL8707407 0.81 ROCK2 (0.65) ROCK2ROCK1CYP11B2TYK2JAK2
SCHEMBL8485471 0.81 ROCK2 (0.59) ROCK2ROCK1PIM1PIM2BAD
SCHEMBL30107188 0.79 SIRT3 (0.61) ROCK2ROCK1NUDT1CASP1TYK2
SCHEMBL13162016 0.79 SIRT3 (0.61) ROCK2ROCK1NUDT1CASP1TYK2
SCHEMBL31678780 0.79 KDM4C (0.58) ROCK2ROCK1NUDT1CASP1PIM1
SCHEMBL16676647 0.79 KDM4C (0.58) ROCK2ROCK1NUDT1CASP1PIM1
SCHEMBL15140751 0.79 ROCK2 (1.00) ROCK2ROCK1CYP11B2TYK2JAK2
SCHEMBL31750890 0.79 ROCK2 (0.61) ROCK2ROCK1CYP11B2TYK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010528-B1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG (CH) 2017-10-04 EP disclosed
EP-2010528-B1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG (CH) 2017-10-04 EP disclosed
EP-2300422-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2014-11-05 EP disclosed
US-8710048-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2014-04-29 US disclosed
US-8710048-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2014-04-29 US disclosed
US-8710048-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2014-04-29 US disclosed
US-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
US-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
US-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
US-8173689-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2012-05-08 US disclosed
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG 2008-02-21 US disclosed
WO-2007121484-A2 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG (CH) 2007-10-25 WO disclosed
US-20070078100-A1 Methods of detecting poly(adp-ribose) polymerase and other nad+ utilizing enzymes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2007-04-05 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
WO-2005038043-A2 METHODS OF DETECTING POLY (ADP-RIBOSE) POLYMERASE AND OTHER NAD+UTILIZING ENZYMES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-04-28 WO disclosed
US-20050026920-A1 Selective serotonin re-uptake inhibitors; use in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder, post-traumatic stress disorder, substance abuse disorders and sexual dysfunction PFIZER INC 2005-02-03 US disclosed
US-6800652-B2 SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS PFIZER INC. 2004-10-05 US disclosed
US-20040097509-A1 Diaryl compounds PFIZER INC. 2004-05-20 US disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 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 (5 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-20040097509-A1 Diaryl compounds CCNL2, CCNI, CCNA1 ROCK2 3015/4885ROCK1 1832/4885NUDT1 1263/4885
US-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling CSF1R, CSF3R, FLT3 ROCK2 2104/4885ROCK1 1227/4885NUDT1 2729/4885
US-20070078100-A1 Methods of detecting poly(adp-ribose) polymerase and other nad+ utilizing enzymes PARP1, PARP11, PARP3 ROCK2 3981/4885ROCK1 3833/4885NUDT1 35/4885
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING CSF1R, CSF3R, FLT3 ROCK2 2104/4885ROCK1 1227/4885NUDT1 2729/4885
US-20050026920-A1 Selective serotonin re-uptake inhibitors; use in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder, post-traumatic stress disorder, substance abuse disorders and sexual dysfunction SLC6A4, SLC6A2, SLC6A3 ROCK2 1154/4885ROCK1 820/4885NUDT1 853/4885

“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.