SCHEMBL701368

SCHEMBL701368

c1ccc2[nH]c(-c3cnccn3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
GSK3B P49841 2/20 0.56
METAP2 P50579 1/20 0.54
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
IDO1 P14902 2/20 0.48
ITK Q08881 3/20 0.47
MAP2K1 Q02750 1/20 0.46
CHEK1 O14757 1/20 0.44
KDR P35968 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL31626826 1.00 CYP19A1 (0.59) CYP19A1GSK3BMETAP2AURKAAURKB
SCHEMBL20852020 0.84 CYP19A1 (0.61) CYP19A1GSK3BMETAP2AURKAAURKB
SCHEMBL18993607 0.84 CYP19A1 (0.48) CYP19A1GSK3BMETAP2ITKCDK5
SCHEMBL29470995 0.81 GSK3B (0.61) CYP19A1GSK3BMETAP2AURKAAURKB
SCHEMBL308319 0.81 GSK3B (0.61) CYP19A1GSK3BMETAP2AURKAAURKB
SCHEMBL4278217 0.80 METAP2 (0.40) CYP19A1GSK3BMETAP2CCNB2CDK1
SCHEMBL18443452 0.79 PIM1 (0.67) ITKPIM1
SCHEMBL18445724 0.78 ITK (0.65) CYP19A1AURKAAURKBITKMAP2K1
SCHEMBL20451132 0.78 ITK (0.60) ITKCHEK1PIM1
SCHEMBL5179280 0.77 ITK (0.61) CYP19A1GSK3BAURKAAURKBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788116-A1 CHEMILUMINESCENT IMIDAZOPYRAZINONE-BASED PHOTOSENSITIZERS WITH AVAILABLE SINGLET AND TRIPLET EXCITED STATES Universidade do Porto (PT) 2021-03-10 EP claimed
US-8124789-B2 Method for producing glycosylated indole compound and antibody against the compound RIKEN (JP) 2012-02-28 US claimed
US-20100028329-A1 METHOD FOR PRODUCING GLYCOSYLATED INDOLE COMPOUND AND ANTIBODY AGAINST THE COMPOUND RIKEN (JP) 2010-02-04 US claimed
EP-3788116-B1 CHEMILUMINESCENT IMIDAZOPYRAZINONE-BASED PHOTOSENSITIZERS WITH AVAILABLE SINGLET AND TRIPLET EXCITED STATES UNIV DO PORTO (PT) 2022-09-07 EP disclosed
EP-3788116-A1 CHEMILUMINESCENT IMIDAZOPYRAZINONE-BASED PHOTOSENSITIZERS WITH AVAILABLE SINGLET AND TRIPLET EXCITED STATES Universidade do Porto (PT) 2021-03-10 EP disclosed
EP-2569286-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2014-08-20 EP disclosed
US-8124789-B2 Method for producing glycosylated indole compound and antibody against the compound RIKEN (JP) 2012-02-28 US disclosed
US-8124789-B2 Method for producing glycosylated indole compound and antibody against the compound RIKEN (JP) 2012-02-28 US disclosed
US-20100048596-A2 Indole Derivatives as Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-02-25 US disclosed
US-20100028329-A1 METHOD FOR PRODUCING GLYCOSYLATED INDOLE COMPOUND AND ANTIBODY AGAINST THE COMPOUND RIKEN (JP) 2010-02-04 US disclosed
US-20100028329-A1 METHOD FOR PRODUCING GLYCOSYLATED INDOLE COMPOUND AND ANTIBODY AGAINST THE COMPOUND RIKEN (JP) 2010-02-04 US disclosed
JP-2009137885-A METHOD FOR PRODUCING GLYCOSYLATED INDOLE COMPOUND INSTITUTE OF PHYSICAL & CHEMICAL RESEARCH 2009-06-25 JP disclosed
US-20090124647-A1 Indole Derivatives as Antitumoral Compounds PHARMA MAR, S.A. (ES) 2009-05-14 US disclosed
EP-1951711-A1 INDOLE DERIVATIVES AS ANTITUMOURAL COMPOUNDS Pharma Mar, S.A. (ES) 2008-08-06 EP disclosed
WO-2007054748-A1 INDOLE DERIVATIVES AS ANTITUMOURAL COMPOUNDS PHARMA MAR, S.A. (ES) 2007-05-18 WO disclosed
CN-1320037-A Antiviral indoloxoacetylpiperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2001-10-31 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 (3 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-20090124647-A1 Indole Derivatives as Antitumoral Compounds NPR3, IDO1, ADORA3 CYP19A1 1510/4885GSK3B 1366/4885METAP2 3921/4885
US-20100048596-A2 Indole Derivatives as Antitumoral Compounds NPR3, IDO1, ADORA3 CYP19A1 1510/4885GSK3B 1366/4885METAP2 3921/4885
US-20100028329-A1 METHOD FOR PRODUCING GLYCOSYLATED INDOLE COMPOUND AND ANTIBODY AGAINST THE COMPOUND TPH1, IDO1, TPH2 CYP19A1 639/4885GSK3B 267/4885METAP2 1555/4885

“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.