SCHEMBL369380

SCHEMBL369380

COC(=O)C(Cc1nn(-c2cnn(C)c2)ccc1=O)c1ccc2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.46
PDE3A Q14432 5/20 0.40
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE10A Q9Y233 2/20 0.39
PDE2A O00408 1/20 0.39
CHRM2 P08172 1/20 0.39
PDE4A P27815 1/20 0.39
PDE1A P54750 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE1C Q14123 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL14926865 0.86 TAS1R3 (0.42) METPDE3ATAS1R3TAS1R1ALOX15
SCHEMBL369157 0.85 MET (0.52) METPDE3APDE4CPDE4DPDE3B
SCHEMBL14917105 0.85 MET (0.52) METPDE3APDE4CPDE4DPDE3B
SCHEMBL14917080 0.85 MET (0.52) METPDE3APDE4CPDE4DPDE3B
SCHEMBL2269727 0.79 MET (0.52) METPDE3APDE4CPDE4DPDE3B
SCHEMBL162668 0.78 MET (0.43) METPDE3APDE3BPDE10ADYRK1A
SCHEMBL2223043 0.78 MET (0.52) METPDE10A
SCHEMBL367859 0.77 EGFR (0.44) METPDE3APDE3BPDE10AWNT1
SCHEMBL14916384 0.77 MET (0.47) METPDE3APDE4CPDE4DPDE3B
SCHEMBL164181 0.77 MET (0.53) MET

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
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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 (1 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET MET 3/4885PDE3A 3241/4885PDE4C 1695/4885

“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.