SCHEMBL2082991

SCHEMBL2082991

O=C(Nc1cc(-c2ccccc2F)n[nH]1)Nc1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.52
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALPL P05186 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
SCHEMBL2082103 0.77 MAPK14 (0.52) MAPK14MEN1KMT2ALMNAMAPT
SCHEMBL668691 0.74 MAPK14 (0.65) MAPK14MEN1KMT2AMAPK1
SCHEMBL10710090 0.72 MEN1 (0.79) MAPK14MEN1KMT2ALMNAMAPT
SCHEMBL2081766 0.70 MAPK14 (0.82) MAPK14MAPT
SCHEMBL2082962 0.70 MAPK14 (0.73) MAPK14MAPT
SCHEMBL2079820 0.69 MAPK14 (0.86) MAPK14MAPT
SCHEMBL7925064 0.68 ALPL (0.56) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL10358211 0.68 MAPT (0.68) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL5597710 0.68 STAT3 (0.49) MAPK14MEN1KMT2ALMNAMAPT
SCHEMBL27575357 0.67 MEN1 (0.71) MAPK14MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK MAPK14 128/4885MEN1 4760/4885KMT2A 1386/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885MEN1 4190/4885KMT2A 1097/4885

“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.