SCHEMBL21090663

SCHEMBL21090663

COC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(-c2ccnc(N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDR P35968 2/20 0.46
PDGFRB P09619 1/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
ROCK1 Q13464 1/20 0.44
AURKA O14965 3/20 0.44
ERN1 O75460 1/20 0.44
MPO P05164 1/20 0.43
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
P2RY1 P47900 1/20 0.42
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
LCK P06239 1/20 0.42
JAK3 P52333 1/20 0.42
TEK Q02763 1/20 0.42

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
SCHEMBL25791202 0.93 ROCK1 (0.44) MAPTKDM4EMAPK1L3MBTL1KDR
SCHEMBL21053094 0.89 MYC (0.49) MAPTKDM4EKDRPDGFRBAKR1C3
SCHEMBL21053189 0.89 AURKA (0.53) MAPTKDM4EAKR1C3AKR1C2AURKA
SCHEMBL30061304 0.89 AURKA (0.53) MAPTKDM4EAKR1C3AKR1C2AURKA
SCHEMBL21054338 0.88 NPSR1 (0.51) MAPTKDM4EKDRAKR1C3AKR1C2
SCHEMBL30063049 0.88 NPSR1 (0.51) MAPTKDM4EKDRAKR1C3AKR1C2
SCHEMBL25791190 0.83 MYC (0.41) MAPTKDM4EMAPK1L3MBTL1KDR
SCHEMBL25791183 0.82 AURKA (0.44) MAPTKDM4EAKR1C3AKR1C2AURKA
SCHEMBL25791177 0.81 KDM4E (0.42) MAPTKDM4EKDRAKR1C3AKR1C2
SCHEMBL21091049 0.80 MAPT (0.44) MAPTKDM4EAURKAERN1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 US disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 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 (2 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 MAPT 1776/4885KDM4E 986/4885MAPK1 1985/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 MAPT 516/4885KDM4E 2295/4885MAPK1 3370/4885

“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.