SCHEMBL3418706

SCHEMBL3418706

NC(=O)C(c1ccccc1)c1cc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
GAA P10253 1/20 0.41
CTSD P07339 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SMN1; SMN2 Q16637 3/20 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
SCHEMBL11496238 0.86 L3MBTL1 (0.41) CTSDKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL3421177 0.84 ALOX5 (0.38) HTTGAAMEN1KMT2AALDH1A1
SCHEMBL3424676 0.84 HDAC3 (0.41) HTTGAAALDH1A1HDAC3HDAC4
SCHEMBL11500988 0.83 L3MBTL1 (0.39) GAACTSDMEN1KMT2ATDP1
SCHEMBL3421533 0.82 HDAC4 (0.47) HDAC4HDAC7HDAC5EPHX1
SCHEMBL3423171 0.82 ADRA2A (0.40) CYP2D6EPHX1
SCHEMBL3431710 0.82 PARP1 (0.38) TDP1PKM
SCHEMBL1023690 0.76
SCHEMBL29270200 0.75 HTT (0.43) HTTGAACTSDMEN1KMT2A
SCHEMBL741751 0.75 MEN1 (0.58) CTSDMEN1KMT2ATDP1L3MBTL1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003323-B Fluorine-containing pyrazole phenylacetamide derivative and application thereof 西北农林科技大学 2023-12-08 CN claimed
CN-116003323-A Fluorine-containing pyrazole phenylacetamide derivative and application thereof 西北农林科技大学 2023-04-25 CN claimed
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
CN-116003323-B Fluorine-containing pyrazole phenylacetamide derivative and application thereof 西北农林科技大学 2023-12-08 CN disclosed
CN-116003323-B Fluorine-containing pyrazole phenylacetamide derivative and application thereof 西北农林科技大学 2023-12-08 CN disclosed
CN-116003323-B Fluorine-containing pyrazole phenylacetamide derivative and application thereof 西北农林科技大学 2023-12-08 CN disclosed
CN-116003323-A Fluorine-containing pyrazole phenylacetamide derivative and application thereof 西北农林科技大学 2023-04-25 CN disclosed
CN-116003323-A Fluorine-containing pyrazole phenylacetamide derivative and application thereof 西北农林科技大学 2023-04-25 CN disclosed
CN-116003323-A Fluorine-containing pyrazole phenylacetamide derivative and application thereof 西北农林科技大学 2023-04-25 CN disclosed
US-11213520-B2 Phenylpyrazolylacetamide compounds and derivatives as CDK8/CDK19 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-01-04 US disclosed
WO-2017202719-A1 NEW PHENYLPYRAZOLYLACETAMIDE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-30 WO disclosed
EP-1874303-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
WO-2006114313-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-11-02 WO disclosed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO disclosed
CN-1022488-C Antimuscainic bronchodilators PFIZER (US) 1993-10-20 CN disclosed
CN-1051041-A Antimuscainic bronchodilators PFIZER (US) 1991-05-01 CN 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-11213520-B2 Phenylpyrazolylacetamide compounds and derivatives as CDK8/CDK19 inhibitors CDK9, CDK19, CDK8 HTT 4320/4885GAA 3013/4885CTSD 3093/4885

“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.