SCHEMBL21054338

SCHEMBL21054338

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
KIT P10721 3/20 0.45
DDR1 Q08345 2/20 0.45
AURKA O14965 5/20 0.44
RAF1 P04049 3/20 0.44
BRAF P15056 3/20 0.44
LCK P06239 3/20 0.44
KDR P35968 2/20 0.44
MAPK14 Q16539 2/20 0.44
JAK3 P52333 1/20 0.44
TEK Q02763 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
DDR2 Q16832 1/20 0.43
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL30063049 1.00 NPSR1 (0.51) NPSR1MAPTKDM4EKITDDR1
SCHEMBL25791177 0.93 KDM4E (0.42) NPSR1MAPTKDM4EKITDDR1
SCHEMBL21054469 0.90 NPSR1 (0.43) NPSR1MAPTKDM4EKITDDR1
SCHEMBL30062654 0.90 NPSR1 (0.43) NPSR1MAPTKDM4EKITDDR1
SCHEMBL21090663 0.88 MAPT (0.49) MAPTKDM4EAURKARAF1BRAF
SCHEMBL21053189 0.87 AURKA (0.53) MAPTKDM4EAURKAAKR1C3AKR1C2
SCHEMBL30061304 0.87 AURKA (0.53) MAPTKDM4EAURKAAKR1C3AKR1C2
SCHEMBL25791162 0.81 ROCK2 (0.42) AURKAMAPK14ROCK2CYP3A4CYP2D6
SCHEMBL25791202 0.81 ROCK1 (0.44) MAPTKDM4EKITDDR1AURKA
SCHEMBL25791183 0.79 AURKA (0.44) MAPTKDM4EAURKAAKR1C3AKR1C2

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-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
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 US disclosed
EP-3720430-A1 BENZOCARBONYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-10-14 EP disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 WO 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 NPSR1 4515/4885MAPT 1776/4885KDM4E 986/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 NPSR1 4607/4885MAPT 516/4885KDM4E 2295/4885

“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.