SCHEMBL118573

SCHEMBL118573

Nc1ccc2[nH]nc(N)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.64
PDPK1 O15530 4/20 0.64
GSK3B P49841 1/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
CYP3A4 P08684 1/20 0.56
AXL P30530 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
JAK3 P52333 1/20 0.50
ULK1 O75385 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
AURKA O14965 1/20 0.46
ROCK1 Q13464 2/20 0.45
MEN1 O00255 1/20 0.45
ROCK2 O75116 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL922069 0.82 PDPK1 (0.65) JAK2PDPK1KDM4EGAACYP3A4
SCHEMBL10213929 0.82 JAK2 (0.81) JAK2PDPK1KDM4EGAACYP3A4
SCHEMBL2467763 0.81 JAK2 (0.53) JAK2PDPK1GSK3BKDM4EGAA
SCHEMBL29644080 0.81 JAK2 (0.53) JAK2PDPK1GSK3BKDM4EGAA
SCHEMBL29644057 0.81 GSK3B (0.56) JAK2PDPK1GSK3BKDM4EGAA
SCHEMBL7571499 0.81 GSK3B (0.51) JAK2PDPK1GSK3BKDM4EGAA
SCHEMBL762275 0.81 GSK3B (0.51) JAK2PDPK1GSK3BKDM4EGAA
SCHEMBL266855 0.81 GSK3B (0.56) JAK2PDPK1GSK3BKDM4EGAA
SCHEMBL759158 0.81 GSK3B (0.51) JAK2PDPK1GSK3BKDM4EGAA
SCHEMBL4004201 0.81 GSK3B (0.51) JAK2PDPK1GSK3BKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101962365-A Aminoindazole derivatives as protein-kinase inhibitors AVENTIS PHARMA SA 2011-02-02 CN claimed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US claimed
CN-1656078-A Aminoindazole derivatives as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2005-08-17 CN claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US claimed
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
EP-2300436-B1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES SRL (IT) 2018-07-18 EP disclosed
EP-1773786-B1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
EP-1467972-A1 INDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2004-10-20 EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US disclosed
US-20040009968-A1 Indazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-01-15 US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 WO disclosed
WO-2003064397-A1 INDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-08-07 WO disclosed
US-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 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 (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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 JAK2 262/4885PDPK1 61/4885GSK3B 75/4885
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 JAK2 1774/4885PDPK1 4495/4885GSK3B 2342/4885
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E JAK2 3285/4885PDPK1 715/4885GSK3B 4738/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL JAK2 4640/4885PDPK1 2032/4885GSK3B 2860/4885
US-20040009968-A1 Indazole compounds useful as protein kinase inhibitors PRKD3, PDPK1, PDK1 JAK2 532/4885PDPK1 2/4885GSK3B 43/4885

“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.