SCHEMBL545009

SCHEMBL545009

CN(C)CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cnc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
RAF1 P04049 8/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 1/20 0.42
KDR P35968 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.38
DDR2 Q16832 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
IGF1R P08069 1/20 0.38
BRAF P15056 3/20 0.37
TEK Q02763 1/20 0.37

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
SCHEMBL545726 0.91 KDM4E (0.45) HTTRAF1KDM4EKMT2AKDR
SCHEMBL545158 0.89 KDR (0.42) HTTRAF1KDM4EKMT2AKDR
SCHEMBL545483 0.80 HTR2A (0.44) HTTKDM4EKMT2AKDRALDH1A1
SCHEMBL14493267 0.78 KDM4E (0.42) HTTRAF1KDM4EKMT2AKDR
SCHEMBL545259 0.78 BRAF (0.46) RAF1KDRBRAF
SCHEMBL5428304 0.77 RAF1 (0.44) RAF1KDREGFRBRAFTEK
SCHEMBL10199947 0.76 BRAF (0.47) KDRBRAFTEK
SCHEMBL545902 0.76 KDR (0.53) KDRRXFP1BRAF
SCHEMBL5418586 0.76 RAF1 (0.51) RAF1KMT2AKDRDDR2EGFR
SCHEMBL5430237 0.75 BRAF (0.49) RAF1KDRBRAF

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 HTT 3268/4885RAF1 198/4885KDM4E 1104/4885

“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.