SCHEMBL545217

SCHEMBL545217

CC(=O)Nc1cc(Oc2ccc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)cc3c2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.62
SRC P12931 5/20 0.60
KIT P10721 1/20 0.56
BRAF P15056 5/20 0.56
EGFR P00533 3/20 0.55
CDK1 P06493 1/20 0.55
CDK2 P24941 1/20 0.55
CDK8 P49336 1/20 0.55
BCR P11274 1/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
KDR P35968 1/20 0.55
MAPK14 Q16539 1/20 0.55
MAP3K20 Q9NYL2 1/20 0.55

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
SCHEMBL545984 0.94 ABL1 (0.55) ABL1SRCBRAFCDK1CDK2
SCHEMBL544927 0.92 ABL1 (0.53) ABL1SRCKITBRAFEGFR
SCHEMBL14493361 0.88 ABL1 (0.54) ABL1SRCBRAFEGFRCDK1
SCHEMBL545648 0.87 ABL1 (0.58) ABL1SRCKITBRAFEGFR
SCHEMBL10301389 0.86 SRC (0.60) ABL1SRCKITCDK1CDK2
SCHEMBL546218 0.86 BRAF (0.48) ABL1SRCBRAFBCRMKNK1
SCHEMBL546349 0.85 ABL1 (0.45) ABL1SRCBRAFBCRMKNK1
SCHEMBL546771 0.82 BRAF (0.57) ABL1SRCKITBRAFEGFR
SCHEMBL545443 0.81 KDR (0.53) ABL1SRCKITBRAFEGFR
SCHEMBL546225 0.80 BRAF (0.62) ABL1SRCBRAFCDK1CDK2

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-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
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 ABL1 37/4885SRC 180/4885KIT 907/4885

“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.