SCHEMBL5348562

SCHEMBL5348562

CN(C)/C=C(\C(=O)c1ccc(Cl)cc1)c1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.40
CYP11B2 P19099 5/20 0.40
P2RX3 P56373 1/20 0.40
ATR Q13535 1/20 0.39
CCR2 P41597 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGER1 P34995 2/20 0.35
CYP17A1 P05093 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2C9 P11712 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL5348564 1.00 CYP11B1 (0.40) CYP11B1CYP11B2P2RX3ATRCCR2
SCHEMBL5357995 0.90 HTR1F (0.39) ATRSMN1; SMN2CYP17A1NPC1RAB9A
SCHEMBL5357992 0.90 HTR1F (0.39) ATRSMN1; SMN2CYP17A1NPC1RAB9A
SCHEMBL5351318 0.90 ACACB (0.39) ATRCCR2CYP17A1NPC1RAB9A
SCHEMBL5351320 0.90 ACACB (0.39) ATRCCR2CYP17A1NPC1RAB9A
SCHEMBL5356757 0.88 CYP17A1 (0.39) CYP11B1CYP11B2P2RX3ATRCYP17A1
SCHEMBL5356752 0.88 CYP17A1 (0.39) CYP11B1CYP11B2P2RX3ATRCYP17A1
SCHEMBL5355228 0.83 NPC1 (0.37) SMN1; SMN2CYP17A1MEN1KMT2ANPC1
SCHEMBL5355226 0.83 NPC1 (0.37) SMN1; SMN2CYP17A1MEN1KMT2ANPC1
SCHEMBL5347562 0.82 NPSR1 (0.41) ALDH1A1

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 CYP11B1 1972/4885CYP11B2 1978/4885P2RX3 220/4885

“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.