SCHEMBL943018

SCHEMBL943018

COc1cccc(Cc2nc3ccc(F)cc3c(=O)[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
MMP13 P45452 6/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ROCK2 O75116 1/20 0.49
ENPP1 P22413 1/20 0.49
KMT2A Q03164 1/20 0.49
ALPL P05186 1/20 0.47

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
SCHEMBL402059 0.84 PDE5A (0.61) GRIN1GRIN2BMMP13KDM4ELMNA
SCHEMBL941179 0.82 PDE5A (0.64) KDM4ELMNAROCK2KMT2A
SCHEMBL13367923 0.81 MMP13 (0.53) GRIN1GRIN2BMMP13KMT2AALPL
SCHEMBL10054289 0.80 KMT2A (0.50) GRIN1GRIN2BMMP13KMT2AALPL
SCHEMBL401645 0.79 PDE5A (0.72) MMP13KDM4EKMT2A
SCHEMBL23882602 0.79 ROCK2 (0.64) MMP13KDM4ELMNAHSD17B10ROCK2
SCHEMBL17888978 0.78 MMP13 (0.58) GRIN1GRIN2BMMP13KMT2A
SCHEMBL4930565 0.78 MMP13 (0.78) MMP13
SCHEMBL27694097 0.78 TNKS (0.58) KMT2A
SCHEMBL399659 0.76 PDE5A (0.59) MMP13KDM4EHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 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-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 GRIN1 1253/4885GRIN2B 859/4885MMP13 2678/4885

“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.