SCHEMBL16620832

SCHEMBL16620832

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.74
EPHX2 P34913 4/20 0.74
KDR P35968 10/20 0.72
BRAF P15056 6/20 0.72
MAPK14 Q16539 5/20 0.72
RET P07949 4/20 0.72
ABL1 P00519 3/20 0.72
EPHA2 P29317 3/20 0.72
MAP3K20 Q9NYL2 3/20 0.72
AURKB Q96GD4 3/20 0.72
PLK4 O00444 2/20 0.72
AURKA O14965 2/20 0.72
MAPK13 O15264 2/20 0.72
MAP4K4 O95819 2/20 0.72
LCK P06239 2/20 0.72
FYN P06241 2/20 0.72
LYN P07948 2/20 0.72
SRC P12931 2/20 0.72
RPS6KB1 P23443 2/20 0.72
AXL P30530 2/20 0.72

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 0.94 RAF1 (0.82) RAF1EPHX2KDRBRAFMAPK14
Trifluoroacetic Acid SCHEMBL19878562 0.93 RAF1 (0.74) RAF1EPHX2KDRBRAFMAPK14
SCHEMBL1660281 0.90 RAF1 (0.69) RAF1EPHX2KDRBRAFMAPK14
SCHEMBL1532339 0.90 RAF1 (0.77) RAF1EPHX2KDRBRAFMAPK14
SCHEMBL16628069 0.90 KDR (0.73) RAF1EPHX2KDRBRAFMAPK14
SCHEMBL29834818 0.90 KDR (0.67) RAF1EPHX2KDRBRAFMAPK14
SCHEMBL27173842 0.90 KDR (0.67) RAF1EPHX2KDRBRAFMAPK14
SCHEMBL19888727 0.90 RAF1 (0.75) RAF1EPHX2KDRBRAFMAPK14
SCHEMBL1660436 0.90 RAF1 (0.67) RAF1EPHX2KDRBRAFMAPK14
SCHEMBL10163311 0.89 RAF1 (0.76) RAF1EPHX2KDRBRAFMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066370-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-07-20 US disclosed
US-20200325103-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2020-10-15 US disclosed
US-20200138829-A1 METHODS OF CANCER TREATMENT Ferro Therapeutics, Inc. 2020-05-07 US disclosed
US-10519113-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-12-31 US disclosed
US-20190202789-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICHAN SCHOOL OF MEDICINE AT MOUNT SINAL (US) 2019-07-04 US disclosed
WO-2018035346-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICHAN SCHOOL OF MEDICINE AT MOUNT SINAL (US) 2018-02-22 WO disclosed
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 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 (5 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-20200325103-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER MAP3K1, KSR1, MAP3K11 RAF1 16/4885EPHX2 2634/4885KDR 706/4885
US-10519113-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer MAP3K1, KSR1, MAP3K11 RAF1 16/4885EPHX2 2634/4885KDR 706/4885
US-20200138829-A1 METHODS OF CANCER TREATMENT AIFM2, GPX4, DDIT3 RAF1 1212/4885EPHX2 3589/4885KDR 4064/4885
US-11066370-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer MAP3K1, KSR1, MAP3K11 RAF1 16/4885EPHX2 2634/4885KDR 706/4885
US-20190202789-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER MAP3K1, KSR1, MAP3K11 RAF1 16/4885EPHX2 2634/4885KDR 706/4885

“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.