SCHEMBL173298

SCHEMBL173298

CCOc1cnc2ccc(OCc3nn(-c4cnn(C)c4)ccc3=O)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CCL2 P13500 1/20 0.38
PDE10A Q9Y233 1/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MET P08581 13/20 0.35
FGFR3 P22607 3/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 1/20 0.33

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
SCHEMBL359817 0.91 MET (0.40) PDE10AMETFGFR3FGFR1FGFR2
SCHEMBL368129 0.90 MIF (0.40) PDE10AMETFGFR3FGFR1FGFR2
SCHEMBL358857 0.90 MET (0.38) PDE10AMET
SCHEMBL255618 0.90 PDE10A (0.38) PDE10AMETFGFR3FGFR1FGFR2
SCHEMBL360598 0.90 PDE10A (0.38) PDE10AMETFGFR3FGFR1
SCHEMBL178094 0.90 MET (0.44) METFGFR3FGFR1
SCHEMBL14926930 0.89 PDE10A (0.35) PDE10AMETFGFR3FGFR1FGFR2
SCHEMBL367624 0.89 PDE10A (0.35) PDE10AMETFGFR3FGFR1FGFR2
SCHEMBL360828 0.89 MET (0.39) PDE10AMET
SCHEMBL162897 0.89 PDE10A (0.37) BRD4CCL2PDE10AMETFGFR3

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 15 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 claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO claimed
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
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-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO 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 (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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET BRD4 1191/4885CCL2 3155/4885PDE10A 3303/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 BRD4 1043/4885CCL2 2986/4885PDE10A 3997/4885

“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.