SCHEMBL4472344

SCHEMBL4472344

NC(=O)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
GAA P10253 1/20 0.46
DHODH Q02127 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS1 P23219 6/20 0.41
ATF1 P18846 1/20 0.40
NFKB1 P19838 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
NOTUM Q6P988 1/20 0.39
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 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
SCHEMBL627995 0.87 CES2 (0.67) CES2GAADHODHATF1NFKB1
SCHEMBL7188717 0.86 CES2 (0.54) CES2GAATSHRMAPK1PTGS1
Hydrochloric Acid SCHEMBL4027010 0.85 CES2 (0.64) CES2GAADHODHATF1NFKB1
Hydrochloric Acid SCHEMBL4372326 0.85 CES2 (0.64) CES2GAADHODHATF1NFKB1
SCHEMBL787785 0.84 CES2 (0.52) CES2GAADHODHTSHRMAPK1
SCHEMBL29451089 0.84 CES2 (0.52) CES2GAADHODHTSHRMAPK1
SCHEMBL4974165 0.82 CES2 (0.50) CES2GAATSHRMAPK1PTGS1
SCHEMBL628456 0.80 CES2 (0.52) CES2GAADHODHATF1NFKB1
SCHEMBL2452507 0.80 CES2 (0.52) CES2GAADHODHPTGS1ATF1
SCHEMBL17048542 0.80 CES2 (0.57) CES2GAADHODHRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
CN-101291917-A Diaryl urea derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2008-10-22 CN disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 WO disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed
EP-0162806-B1 AZO COMPOUNDS CONTAINING AT LEAST ONE CARBON AMIDE GROUP CIBA-GEIGY AG (CH) 1989-01-25 EP disclosed
US-4737581-A PIGMENTING HIGH-MOLECULAR-WEIGHT COMPOUNDS; PRINTING INKS; LACQUERS COLORFASTNESS; REDS AND ORANGES CIBA-GEIGY CORPORATION (US) 1988-04-12 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 (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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA CES2 3770/4885GAA 1771/4885DHODH 2166/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP CES2 3872/4885GAA 2919/4885DHODH 1438/4885

“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.