SCHEMBL25329168

SCHEMBL25329168

O=C(O)NC1Cc2c(ccnc2Br)N(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.36
PDE4B Q07343 1/20 0.36
NOTUM Q6P988 1/20 0.35
SCN9A Q15858 1/20 0.34
HDAC1 Q13547 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
BTK Q06187 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TP53 P04637 2/20 0.33
KCNH2 Q12809 1/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL27057835 0.87 SYK (0.38) GRM2BTK
SCHEMBL25331183 0.83 MTNR1A (0.39) NOTUMHDAC1MTNR1AMTNR1BHDAC8
SCHEMBL27034431 0.80 MTNR1A (0.40) NOTUMMTNR1AMTNR1BTP53FPR1
SCHEMBL25329760 0.80 MTNR1A (0.42) NOTUMMTNR1AMTNR1BTP53FPR1
SCHEMBL25330409 0.79 HDAC11 (0.37) PDE4BNOTUMHDAC1MTNR1AMTNR1B
SCHEMBL25329973 0.79 MTNR1A (0.42) GRM2PDE4BNOTUMSCN9AHDAC1
SCHEMBL29073425 0.78 ROCK2 (0.35) GRM2NOTUMSCN9AHDAC1
SCHEMBL25332512 0.78 NOTUM (0.36) GRM2PDE4BNOTUMSCN9AHDAC1
SCHEMBL25331834 0.77 AR (0.39) NOTUMMTNR1AMTNR1BTP53FPR1
SCHEMBL25332268 0.77 MTNR1A (0.38) NOTUMSCN9AMTNR1AMTNR1BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER CISTIM LEUVEN VZW (BE) 2024-01-25 US disclosed
EP-4222143-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER Katholieke Universiteit Leuven (BE) 2023-08-09 EP 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-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER YAP1, TEAD2, TEAD1 GRM2 4221/4885PDE4B 2327/4885NOTUM 4268/4885

“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.