SCHEMBL13275151

SCHEMBL13275151

COc1cnc(-c2cccc(Cc3nn(-c4cncc(Br)c4)ccc3=O)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.41
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDR P35968 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.32
FYN P06241 1/20 0.32
PRKACA P17612 1/20 0.32
GRK5 P34947 1/20 0.32
PRKX P51817 1/20 0.32
PRKCQ Q04759 1/20 0.32
ROCK1 Q13464 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31
POLB P06746 1/20 0.31
AADAT Q8N5Z0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2224806 0.90 MET (0.41) METKDRHSD17B13FYNPRKACA
SCHEMBL13274940 0.89 MET (0.46) MET
SCHEMBL13274527 0.87 MET (0.39) METKDRALDH1A1
SCHEMBL13274795 0.83 MET (0.42) METKDRHSD17B13HCRTR1HCRTR2
SCHEMBL2364227 0.83 MET (0.46) METADORA2AADORA1KDRHSD17B13
SCHEMBL255611 0.83 MET (0.41) METKDRHSD17B13HCRTR1HCRTR2
SCHEMBL13274725 0.83 MET (0.34) METADORA2AADORA1KDRHSD17B13
SCHEMBL12517658 0.80 MET (0.45) METADORA2AADORA1KDRHSD17B13
SCHEMBL13274613 0.80 MET (0.39) METADORA2AADORA1KDRHSD17B13
SCHEMBL2268200 0.79 MET (0.40) METKDR

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 3 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 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

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 MET 2/4885ADORA2A 2646/4885ADORA1 3440/4885

“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.