SCHEMBL4007120

SCHEMBL4007120

CNc1n[nH]c2ccc(N)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.69
AXL P30530 1/20 0.47
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
FADS1 O60427 5/20 0.42
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
JAK2 O60674 3/20 0.41
PDPK1 O15530 1/20 0.41
AURKA O14965 1/20 0.39
NTRK1 P04629 1/20 0.39
GRM4 Q14833 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 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
SCHEMBL2926142 0.86 GSK3B (0.51) GSK3BAXLJAK2PDPK1AURKA
SCHEMBL11701839 0.84 GSK3B (0.66) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL7214763 0.80 FADS1 (0.56) GSK3BFADS1CCNCCDK8GRM4
SCHEMBL627302 0.79 GSK3B (0.60) GSK3BAXLJAK2AURKANTRK1
SCHEMBL4008404 0.79 GSK3B (0.60) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL5773496 0.79 FADS1 (0.60) GSK3BFADS1CCNCCDK8GRM4
SCHEMBL2431672 0.79 FADS1 (0.55) GSK3BHTR2AFADS1JAK2NTRK1
SCHEMBL7214758 0.79 GSK3B (0.44) GSK3BFADS1CCNCCDK8NTRK1
SCHEMBL26400882 0.79 MAP2K7 (0.50) GSK3BHTR2CFADS1CCNCCDK8
SCHEMBL2671952 0.79 PDPK1 (0.58) GSK3BAXLHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
CN-100369899-C Substituted indazoles with anti-cancer activity AVENTIS PHARMA SA (FR) 2008-02-20 CN disclosed
CN-1642922-A Substituted indazoles with anti-cancer activity AVENTIS PHARMA SA (FR) 2005-07-20 CN disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US 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-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 (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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 GSK3B 75/4885AXL 462/4885HTR2A 3852/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 GSK3B 100/4885AXL 630/4885HTR2A 4109/4885

“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.