SCHEMBL2273589

SCHEMBL2273589

Cc1noc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
MET P08581 1/20 0.42
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
USP30 Q70CQ3 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PIK3CG P48736 3/20 0.34
FYN P06241 1/20 0.33
BCL2L1 Q07817 1/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32

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
SCHEMBL2265885 0.85 DAO (0.42) PARP1METHCRTR1HCRTR2PPARG
SCHEMBL12516405 0.83 MET (0.40) METPPARGPPARAFYNENPP2
SCHEMBL2264608 0.82 RAB9A (0.37) MAPTPIK3CGPIK3CDPIK3R2PIK3CA
SCHEMBL12517955 0.82 KDM4E (0.38) METPPARGPPARAMAPTFYN
SCHEMBL13275216 0.82 CREBBP (0.38) METFYNIGF1R
SCHEMBL13465630 0.81 FYN (0.45) METTP53MAPTFYNENPP2
SCHEMBL2261213 0.81 RAB9A (0.38) PPARA
SCHEMBL2222546 0.80 HSD17B13 (0.36) METFYNENPP2IGF1R
SCHEMBL2271679 0.80 RAB9A (0.36) ENPP2
SCHEMBL2271093 0.80 IRAK1 (0.38) METPIK3CGFYNPIK3CDPIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 PARP1 2307/4885MET 2/4885HCRTR1 4621/4885

“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.