SCHEMBL545818

SCHEMBL545818

CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2cccc(C#N)c2)CC3)ccn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.51
BRAF P15056 12/20 0.48
RAF1 P04049 7/20 0.48
KDR P35968 4/20 0.45
ADRB3 P13945 3/20 0.43
KCNH2 Q12809 1/20 0.43
ADRB1 P08588 2/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
RET P07949 1/20 0.42
EPHA2 P29317 1/20 0.42
MAPK14 Q16539 1/20 0.42
DDR2 Q16832 1/20 0.42

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
SCHEMBL545864 0.91 NPC1 (0.53) BRAFRAF1KDRADRB3ADRB1
SCHEMBL545436 0.90 MTNR1A (0.52) GRM5BRAFRAF1KDRADRB3
SCHEMBL546051 0.89 BRAF (0.50) GRM5BRAFRAF1KDRADRB3
SCHEMBL545647 0.89 BRAF (0.51) BRAFRAF1KDRADRB3KCNH2
SCHEMBL5423180 0.88 BRAF (0.48) BRAFRAF1KDRADRB3ADRB1
SCHEMBL545993 0.88 BRAF (0.51) GRM5BRAFRAF1KDRADRB3
SCHEMBL546430 0.88 BRAF (0.52) BRAFRAF1KDRADRB3EGFR
SCHEMBL545254 0.88 BRAF (0.49) BRAFRAF1KDRADRB3KCNH2
SCHEMBL545995 0.87 BRAF (0.52) BRAFRAF1KDRADRB3KCNH2
SCHEMBL546358 0.87 BRAF (0.56) BRAFRAF1KDRKCNH2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US claimed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 GRM5 2036/4885BRAF 215/4885RAF1 198/4885

“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.