SCHEMBL2662873

SCHEMBL2662873

O=C1CC(c2ccc3ccccc3c2)=NN1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.64
GSTP1 P09211 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NOTUM Q6P988 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
PDE4B Q07343 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ACHE P22303 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 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
SCHEMBL29733457 1.00 AXL (0.64) AXLGSTP1SMN1; SMN2NOTUMGPR119
SCHEMBL2644154 0.81 GSTP1 (0.51) AXLGSTP1SMN1; SMN2NISCHPDE4B
SCHEMBL6858128 0.81 RAB9A (0.49) AXLSMN1; SMN2HDAC4HDAC2HDAC8
SCHEMBL11846026 0.79 AXL (0.92) AXLSMN1; SMN2GPR119PDE3BPDE3A
SCHEMBL2375581 0.78 AXL (1.00) AXLSMN1; SMN2GPR119PDE3BPDE3A
SCHEMBL27995075 0.78 AXL (0.77) AXLSMN1; SMN2GPR119NISCHPDE3B
SCHEMBL11094190 0.76 PDE3B (0.49) GSTP1SMN1; SMN2NOTUMNISCHPDE4B
SCHEMBL20279531 0.72 AXL (0.67) AXLSMN1; SMN2PDE4BPDE3BPDE3A
SCHEMBL5561070 0.72 AXL (0.67) AXLSMN1; SMN2NOTUMPDE4BPDE3B
SCHEMBL13335345 0.72 AXL (0.67) AXLSMN1; SMN2PDE4BPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970610-B2 Tire rubber composition using pyrazalone-based compound THE GOODYEAR TIRE & RUBBER COMPANY (US) 2024-04-30 US disclosed
US-20230183457-A1 TIRE RUBBER COMPOSITION USING PYRAZALONE-BASED COMPOUND THE GOODYEAR TIRE & RUBBER COMPANY 2023-06-15 US disclosed
US-20220106463-A1 RUBBER COMPOSITION, RUBBER MATERIAL, USE OF SAME, AND ADDITIVE OTSUKA CHEMICAL CO., LTD. (JP) 2022-04-07 US disclosed
EP-3845591-A1 RUBBER COMPOSITION, RUBBER MATERIAL, USE OF SAME AND ADDITIVE Otsuka Chemical Co., Ltd. (JP) 2021-07-07 EP disclosed
CN-112533991-A Rubber composition, rubber material, use thereof, and additive 大塚化学株式会社 2021-03-19 CN disclosed
US-7799818-B2 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2010-09-21 US disclosed
US-7598285-B2 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2009-10-06 US disclosed
US-20090176854-A1 N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance MERCK SHARP & DOHME LLC 2009-07-09 US disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 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-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use PC, GOT2, PNLIP AXL 4223/4885GSTP1 2296/4885SMN1; SMN2 2913/4885
US-20090176854-A1 N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance GOT2, GOT1, IAPP AXL 4299/4885GSTP1 1203/4885SMN1; SMN2 1736/4885

“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.