SCHEMBL25366356

SCHEMBL25366356

NC(=O)c1ccc(N2CCNCC2)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.44
ACVR1 Q04771 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
GFER P55789 1/20 0.42
YWHAG P61981 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RPS6KB1 P23443 2/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
DRD1 P21728 1/20 0.38
HTR2A P28223 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL8553051 0.86 HTR6 (0.45) HTR6DRD2DRD3DRD1HTR2A
SCHEMBL30798758 0.81 HPGD (0.45) KDM4EMEN1MAPTTHRBALOX15
SCHEMBL30798658 0.80 ACVR1 (0.45) ACVR1MAPT
SCHEMBL29960848 0.79 ACVR1 (0.39) HTR6ACVR1KDM4EMEN1MAPT
Bromide SCHEMBL7972748 0.79 KDR (0.47) HTR6ACVR1KDM4EMEN1MAPT
Ammonia Solution, Strong SCHEMBL29115506 0.78 ACVR1 (0.38) HTR6ACVR1KDM4EMEN1MAPT
SCHEMBL30542904 0.78 ACVR1 (0.38) HTR6ACVR1KDM4EMEN1MAPT
SCHEMBL27675711 0.78 ADRB1 (0.49) HTR6ACVR1KDM4EMEN1MAPT
SCHEMBL25232509 0.77 ALDH1A1 (0.45) HTR6KDM4EMAPTADRB1
SCHEMBL20076208 0.77 HTR6 (0.46) HTR6KDM4EHSD17B10HTTHTR7

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-20240116885-A1 BENZOTHIAZOLE AND QUINOLINE DERIVATIVES AND THEIR USE SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2024-04-11 US disclosed
EP-4222151-A1 ALPHA PROTEIN KINASE 1 INHIBITORS AND METHODS OF USE Shanghai Yao Yuan Biotechnology Co., Ltd. (CN) 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-20240116885-A1 BENZOTHIAZOLE AND QUINOLINE DERIVATIVES AND THEIR USE PHKA1, PHKA2, CSNK1A1 HTR6 4100/4885ACVR1 1127/4885KDM4E 2525/4885

“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.