SCHEMBL951867

SCHEMBL951867

CCNCc1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
CYP19A1 P11511 2/20 0.47
CYP3A4 P08684 2/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
TP53 P04637 1/20 0.41
BPTF Q12830 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
PARP1 P09874 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39

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
SCHEMBL2127834 0.87 MAOB (0.56) MAOBMAOACYP19A1CYP3A4CASP1
Butylbenzyl SCHEMBL6867534 0.86 MAOB (0.53) MAOBMAOACYP19A1CYP1A2CYP2D6
SCHEMBL14931701 0.85 MAOB (0.54) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL5909429 0.85 PARP1 (0.47) CYP19A1CYP1A2CYP2D6CYP2C19PARP1
SCHEMBL27263640 0.82 CYP1A2 (0.58) MAOBMAOACYP1A2CYP2D6CYP2C19
SCHEMBL14931724 0.82 MAOB (0.61) MAOBMAOACYP19A1ELANECHRM2
SCHEMBL8250821 0.81 MAOA (0.55) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL20724025 0.81 TAAR1 (0.48) MAOBMAOACYP19A1CYP2D6
Diethylamine SCHEMBL28490269 0.81 CYP3A4 (0.60) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL8500622 0.80 PNMT (0.45) CYP3A4CYP1A2CYP2D6CYP2C19PARP1

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
CN-1023228-C Preparation method of reactive dye ICI PLC (GB) 1993-12-22 CN claimed
EP-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 EP disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 WO disclosed
EP-2635249-A1 COLOURING MOUSSE COMPOSITION BASED ON AN ALKANOLAMINE AND AN AMMONIUM SALT L'Oréal (FR) 2013-09-11 EP disclosed
WO-2012059411-A1 COLOURING MOUSSE COMPOSITION BASED ON AN ALKANOLAMINE AND AN AMMONIUM SALT L'OREAL (FR) 2012-05-10 WO disclosed
WO-2012059412-A1 COLOURING MOUSSE COMPOSITION BASED ON AN ALKANOLAMINE MIXTURE INCLUDING MONOETHANOLAMINE L'OREAL (FR) 2012-05-10 WO disclosed
WO-2011136371-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2011-11-03 WO disclosed
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
US-7842711-B2 Indazolecarboxamide derivatives for the treatment and prevention of malaria SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
EP-1727544-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM Sanofi-Aventis (FR) 2006-12-06 EP disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US disclosed
WO-2005099703-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM SANOFI-AVENTIS (FR) 2005-10-27 WO disclosed
EP-1549620-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS Sanofi-Aventis (FR) 2005-07-06 EP disclosed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 WO 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 MAOB 2017/4885MAOA 1543/4885CYP19A1 2568/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 MAOB 2017/4885MAOA 1543/4885CYP19A1 2568/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 MAOB 2982/4885MAOA 3275/4885CYP19A1 275/4885

“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.