SCHEMBL2924907

SCHEMBL2924907

CN(C)/C=C(/C(=O)c1ccc(F)cc1)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRM1 Q13255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 1/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL2924909 1.00 LTA4H (0.53) LTA4HCES2CES1HTTCYP1A2
SCHEMBL1150862 1.00 LTA4H (0.53) LTA4HCES2CES1HTTCYP1A2
SCHEMBL17088194 0.86 LMNA (0.46) CES2CES1HTTGRM1L3MBTL1
SCHEMBL5257409 0.85 CYP11B1 (0.52) CES2CES1HTTCYP1A2CYP2C19
SCHEMBL6102525 0.85 CYP11B1 (0.52) CES2CES1HTTCYP1A2CYP2C19
SCHEMBL6102524 0.85 CYP11B1 (0.52) CES2CES1HTTCYP1A2CYP2C19
SCHEMBL15733270 0.85 LMNA (0.53) CES2CES1HTTGRM1PTGS2
SCHEMBL4098983 0.85 CYP11B1 (0.52) CES2CES1HTTCYP1A2CYP2C19
SCHEMBL15733269 0.85 LMNA (0.53) CES2CES1HTTGRM1PTGS2
SCHEMBL6501393 0.84 CES2 (0.47) CES2CES1CYP1A2CYP2C19KMT2A

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
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US disclosed
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP disclosed
US-20090286983-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US disclosed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US disclosed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US disclosed
US-7087624-B2 Substituted pyrazole compounds TEIKOJU HORMONE MFG. CO., LTD. (JP) 2006-08-08 US disclosed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 US disclosed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US disclosed
US-6096748-A Pyrimidine compounds useful in treating cytokine mediated diseases SMITHKLINE BEECHAM CORPORATION (US) 2000-08-01 US disclosed
EP-0888335-A1 NOVEL PYRIMIDINE COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-07 EP disclosed
US-5670503-A PROPHYLACTIC AND THERAPEUTIC TREATMENT OF INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR MEDIATED DISEASES SUCH AS INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
WO-1997033883-A1 NOVEL PYRIMIDINE COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1997-09-18 WO disclosed
US-5624931-A Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 US disclosed
US-5478827-A Inhibits Interleukin-1 and tumor necrosis factor production FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 US disclosed
EP-0686156-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-13 EP disclosed
US-5356897-A Inhibit the production of Interleukin-1 and tumor necrosis factor; administering for treatment of chronic inflammatory diseases, autoimmune diseases and sepsis-induced organ injury FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
WO-1994019350-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
EP-0531901-A2 Condensed pyrazole derivatives with interleukin-1 and tumour necrosis factor inhibitory activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 EP 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 (4 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-20060167040-A1 Pyrazolopyridine derivates MAPK1, MAP4K2, MAP4K3 LTA4H 3862/4885CES2 2320/4885CES1 2452/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 LTA4H 4316/4885CES2 3139/4885CES1 3532/4885
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis CNKSR1, MAPK1, MAPK3 LTA4H 3883/4885CES2 4513/4885CES1 2804/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 LTA4H 4316/4885CES2 3139/4885CES1 3532/4885

“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.