SCHEMBL2080355

SCHEMBL2080355

O=C(O)N(CC(Cl)(Cl)Cl)c1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
FEN1 P39748 2/20 0.37
ERCC5 P28715 1/20 0.37
AKR1B1 P15121 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.34
PTPRC P08575 1/20 0.34
PTPRG P23470 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3455164 0.80 TP53 (0.47) TSHRFEN1ERCC5AKR1B1KMT2A
SCHEMBL15066400 0.75 SMN1; SMN2 (0.39) TSHRFEN1ERCC5KMT2AMEN1
SCHEMBL15066495 0.75 SMN1; SMN2 (0.39) TSHRFEN1ERCC5KMT2AMEN1
SCHEMBL15066589 0.75 SMN1; SMN2 (0.39) TSHRFEN1ERCC5KMT2AMEN1
SCHEMBL4420606 0.74 TACR1 (0.39) KMT2AMEN1RXRARXRBRXRG
SCHEMBL2093314 0.70 TSHR (0.47) TSHRFEN1ERCC5AKR1B1KMT2A
SCHEMBL19384332 0.69 TP53 (0.43) TSHRKMT2AMEN1RXRARXRB
SCHEMBL2091321 0.68 NPSR1 (0.45) TSHRKMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL27075237 0.67 SLC6A2 (0.43) TSHRFEN1ERCC5KMT2AMEN1
SCHEMBL20564179 0.66 TSHR (0.46) TSHRFEN1ERCC5AKR1B1KMT2A

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-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
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 TSHR 3697/4885FEN1 991/4885ERCC5 3764/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 TSHR 3699/4885FEN1 138/4885ERCC5 2783/4885

“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.