SCHEMBL2268618

SCHEMBL2268618

CCCc1nc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.35
ADORA1 P30542 5/20 0.35
SPHK2 Q9NRA0 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ENPP2 Q13822 1/20 0.32
MPO P05164 1/20 0.31
PARP1 P09874 2/20 0.31
APLNR P35414 1/20 0.31
PDE10A Q9Y233 1/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL2261213 0.83 RAB9A (0.38) ADORA1MAPK1NPC1RAB9APPARA
SCHEMBL12517647 0.82 RARB (0.36) ENPP2APLNR
SCHEMBL2222464 0.81 MPO (0.35) MAPK1ENPP2MPOPPARGPPARA
SCHEMBL2221300 0.81 HSD17B13 (0.38) ENPP2
Hydrochloric Acid SCHEMBL13274899 0.81 MPO (0.34) MAPK1ENPP2MPOPPARGPPARA
SCHEMBL2276244 0.80 MET (0.40)
SCHEMBL12516405 0.80 MET (0.40) ENPP2PPARGPPARA
SCHEMBL13274620 0.80 IRAK4 (0.36)
SCHEMBL13275084 0.80 IGF1R (0.35) ENPP2
SCHEMBL2271901 0.80 PPARA (0.39) ADORA1SPHK2MAPK1APLNRNPC1

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 6 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

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 ADORA2A 2646/4885ADORA1 3440/4885SPHK2 1231/4885

“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.