SCHEMBL13629294

SCHEMBL13629294

O=C1c2ccccc2NCc2ncccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPRC P08575 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
PTPN13 Q12923 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PLCG1 P19174 1/20 0.41
CES1 P23141 1/20 0.41
PAX8 Q06710 1/20 0.41
RIN1 Q13671 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK14 Q16539 3/20 0.40

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
SCHEMBL9407864 0.85 JAK2 (0.45) GAACYP1A2SMN1; SMN2PTPRCCTSL
SCHEMBL2044013 0.79
SCHEMBL2223651 0.76 CA12 (0.50) GAACYP1A2SMN1; SMN2PTPRCCTSL
SCHEMBL11474110 0.74 CA12 (0.59) GAACYP1A2MEN1KMT2ACES1
SCHEMBL9201794 0.74 MAOA (0.48) CYP1A2SMN1; SMN2PTPRCMEN1KMT2A
SCHEMBL673377 0.73 CYP11B1 (0.42) CYP1A2SMN1; SMN2PLCG1ALDH1A1ALOX15
SCHEMBL6025692 0.71 MAOA (0.61) GAACYP1A2PTPRCCTSLCTSS
SCHEMBL31696765 0.71 MAOA (0.45) CYP1A2SMN1; SMN2PTPRCMEN1KMT2A
SCHEMBL6385750 0.70 CES1 (0.59) GAAPTPRCCTSLCTSSPTPN13
SCHEMBL9040443 0.70 MAOA (0.53) GAAMAOAMAOBALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
WO-2007050383-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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 (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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET GAA 1423/4885CYP1A2 2949/4885SMN1; SMN2 4077/4885
US-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET GAA 1573/4885CYP1A2 4074/4885SMN1; SMN2 3373/4885

“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.