SCHEMBL5356933

SCHEMBL5356933

CC(C)(C)OC(=O)Nc1cc(CC(=O)c2ccc(F)c(F)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.43
CCR2 P41597 2/20 0.41
NR3C2 P08235 4/20 0.40
CYP17A1 P05093 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
GRIN2B Q13224 1/20 0.38
HDAC1 Q13547 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38
MAPK14 Q16539 2/20 0.37
F10 P00742 1/20 0.37
P2RX3 P56373 1/20 0.37

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
SCHEMBL3888502 0.92 IGF1R (0.42) IGF1RCCR2NR3C2CYP17A1LOXL2
SCHEMBL3888179 0.89 NR3C2 (0.46) IGF1RCCR2NR3C2CYP17A1RIOK2
SCHEMBL3892526 0.87 CCR2 (0.47) IGF1RCCR2LOXL2P2RX3ATR
SCHEMBL3902968 0.86 NR3C2 (0.47) IGF1RCCR2NR3C2MAPK14RIOK2
SCHEMBL5202372 0.85 NR3C2 (0.47) IGF1RCCR2NR3C2CYP17A1LOXL2
SCHEMBL3900906 0.84 NR3C2 (0.46) IGF1RCCR2NR3C2CYP17A1GRIN2B
SCHEMBL5761933 0.84 CYP17A1 (0.49) IGF1RCCR2NR3C2CYP17A1LOXL2
SCHEMBL3900938 0.84 CCR2 (0.47) IGF1RCCR2P2RX3RIOK2ATR
SCHEMBL3892560 0.83 NR3C2 (0.51) IGF1RNR3C2RIOK2
SCHEMBL3894787 0.83 IGF1R (0.42) IGF1RCCR2NR3C2CYP17A1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 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
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 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 (1 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-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 IGF1R 884/4885CCR2 140/4885NR3C2 480/4885

“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.