SCHEMBL545648

SCHEMBL545648

CN1CCN(Cc2ccc(NC(=O)c3ccc4ccc(Oc5ccnc(C6=NCCN6)c5)cc4c3)cc2C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.58
SRC P12931 5/20 0.57
BRAF P15056 10/20 0.55
EGFR P00533 8/20 0.55
KIT P10721 1/20 0.52
CDK1 P06493 1/20 0.52
CDK2 P24941 1/20 0.52
CDK8 P49336 1/20 0.52
RET P07949 2/20 0.52

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
SCHEMBL546229 0.94 MAPK14 (0.50) ABL1SRCBRAFEGFR
SCHEMBL545423 0.93 MAPK14 (0.49) ABL1SRCBRAFEGFRKIT
SCHEMBL545439 0.88 MAPK14 (0.44) ABL1SRCBRAFEGFR
SCHEMBL5416351 0.87 RAF1 (0.45) ABL1SRCBRAF
SCHEMBL545217 0.87 ABL1 (0.62) ABL1SRCBRAFEGFRKIT
SCHEMBL545637 0.83 KDR (0.52) ABL1SRCBRAFEGFRKIT
SCHEMBL10199733 0.83 KDR (0.42) BRAF
SCHEMBL10199956 0.83 RAF1 (0.49) BRAF
SCHEMBL544927 0.82 ABL1 (0.53) ABL1SRCBRAFEGFRKIT
SCHEMBL545253 0.81 BRAF (0.58) 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 180/4885BRAF 215/4885

“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.