SCHEMBL1532339

SCHEMBL1532339

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(NC)cc3)cc2)ccn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.77
EPHX2 P34913 4/20 0.77
KDR P35968 9/20 0.70
MAPK14 Q16539 5/20 0.70
RET P07949 4/20 0.70
HIPK4 Q8NE63 4/20 0.70
SRC P12931 3/20 0.70
ABL1 P00519 3/20 0.70
EPHA2 P29317 3/20 0.70
MAP3K20 Q9NYL2 3/20 0.70
AURKB Q96GD4 3/20 0.70
PLK4 O00444 2/20 0.70
AURKA O14965 2/20 0.70
MAPK13 O15264 2/20 0.70
MAP4K4 O95819 2/20 0.70
LCK P06239 2/20 0.70
FYN P06241 2/20 0.70
LYN P07948 2/20 0.70
RPS6KB1 P23443 2/20 0.70
AXL P30530 2/20 0.70

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
SCHEMBL257980 0.96 RAF1 (0.82) RAF1EPHX2KDRMAPK14RET
SCHEMBL5319531 0.94 KDR (0.67) RAF1EPHX2KDRMAPK14RET
SCHEMBL10163311 0.91 RAF1 (0.76) RAF1EPHX2KDRMAPK14RET
SCHEMBL12391532 0.91 RAF1 (0.76) RAF1EPHX2KDRMAPK14RET
SCHEMBL19888730 0.90 RAF1 (0.78) RAF1EPHX2KDRMAPK14RET
SCHEMBL16620832 0.90 RAF1 (0.74) RAF1EPHX2KDRMAPK14RET
SCHEMBL28430251 0.90 RAF1 (0.78) RAF1EPHX2KDRMAPK14RET
SCHEMBL4732730 0.88 RAF1 (0.71) RAF1EPHX2KDRMAPK14RET
SCHEMBL16628087 0.87 KDR (0.83) RAF1EPHX2KDRMAPK14RET
SCHEMBL13458871 0.87 RAF1 (0.70) RAF1EPHX2KDRMAPK14RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 US disclosed
US-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 US disclosed
EP-2478361-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS Avila Therapeutics, Inc. (US) 2012-07-25 EP disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 US disclosed
WO-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 WO disclosed
WO-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 WO 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 (3 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-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK RAF1 117/4885EPHX2 2018/4885KDR 2005/4885
US-10662195-B2 Protein kinase conjugates and inhibitors MAP3K20, ADK, TTK RAF1 117/4885EPHX2 2018/4885KDR 2005/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 RAF1 109/4885EPHX2 2120/4885KDR 2212/4885

“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.