SCHEMBL168659

SCHEMBL168659

Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
RAB9A P51151 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
ADORA3 P0DMS8 1/20 0.58
TP53 P04637 1/20 0.53
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP1A2 P05177 1/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
GSK3B P49841 3/20 0.47
GSK3A P49840 2/20 0.47
CHEK1 O14757 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
PDGFRA P16234 1/20 0.47
RPS6KA3 P51812 1/20 0.47
LIMK1 P53667 1/20 0.47
CDK5 Q00535 1/20 0.47

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
SCHEMBL28025294 0.88 POLB (0.48) POLBRAB9AL3MBTL1ADORA3TP53
SCHEMBL5725231 0.86 RAB9A (0.66) POLBRAB9AL3MBTL1ADORA3TP53
SCHEMBL17355102 0.84 ADORA3 (0.51) POLBRAB9AL3MBTL1ADORA3TP53
SCHEMBL28466328 0.83 ALPL (0.58) POLBRAB9AL3MBTL1ADORA3TP53
SCHEMBL15192462 0.82 POLB (0.43) POLBRAB9AL3MBTL1ADORA3TP53
Hydrochloric Acid SCHEMBL9124767 0.81 ALPL (0.56) POLBRAB9AL3MBTL1ADORA3TP53
SCHEMBL238785 0.81 MKNK2 (0.47) POLBRAB9AL3MBTL1ADORA3LMNA
SCHEMBL1392639 0.80 ADORA3 (0.56) POLBRAB9AL3MBTL1ADORA3TP53
SCHEMBL28142163 0.80 L3MBTL1 (0.44) POLBRAB9AL3MBTL1ADORA3TP53
SCHEMBL15192023 0.80 ALDH1A1 (0.53) POLBRAB9AL3MBTL1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808259-B 3D printing silicone rubber and preparation method and application thereof 四川大学 2021-10-12 CN claimed
CN-111808259-A 3D printing silicone rubber and preparation method and application thereof 四川大学 2020-10-23 CN claimed
CN-105209440-B Halopyrazoles as Thrombin Inhibitors 维颂公司 2019-07-23 CN claimed
US-9486892-B2 Polishing composition FUJIMI INCORPORATED (JP) 2016-11-08 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1958939-A2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders Pfizer Products Inc. (US) 2008-08-20 EP claimed
EP-1735285-B1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-07-23 EP claimed
EP-1879869-A1 PROCESS FOR THE PREPARATION OF 5-ALKYLTHIOALKYLAMINO-1-PHENYL-PYRAZOLES Merial Limited (US) 2008-01-23 EP claimed
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US claimed
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-15 US claimed
WO-2006119862-A1 PROCESS FOR THE PREPARATION OF 5-ALKYLTHIOALKYLAMINO-1-PHENYL-PYRAZOLES MERIAL LTD. (US) 2006-11-16 WO claimed
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 US claimed
WO-2005095348-A2 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
US-20050222239-A1 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US claimed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 US claimed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US claimed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
EP-0335156-A1 5-Amino-1-phenylpyrazoles BAYER AG (DE) 1989-10-04 EP claimed
EP-0243636-A1 1-Aryl-4-trifluoromethyl-5-amino pyrazoles as pesticides BAYER AG (DE) 1987-11-04 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050222239-A1 Pyrazole-amine compounds for the treatment of neurodegenerative disorders APP, PRNP, BACE1 POLB 2701/4885RAB9A 1019/4885L3MBTL1 1231/4885
US-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG POLB 4297/4885RAB9A 4383/4885L3MBTL1 4731/4885
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders APP, PARK7, BACE1 POLB 3819/4885RAB9A 429/4885L3MBTL1 2169/4885
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PRNP, BACE1 POLB 2701/4885RAB9A 1019/4885L3MBTL1 1231/4885
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome APP, BACE1, PSEN1 POLB 2471/4885RAB9A 830/4885L3MBTL1 2526/4885

“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.