SCHEMBL20657448

SCHEMBL20657448

C/C(=N\c1cccc(C(F)(F)F)c1)C(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
HTR3A P46098 1/20 0.60
HTR3D Q70Z44 1/20 0.60
HTR3C Q8WXA8 1/20 0.60
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
NOS1 P29475 3/20 0.52
NOS3 P29474 2/20 0.52
NOS2 P35228 2/20 0.52
CRHR1 P34998 1/20 0.46
GAA P10253 1/20 0.44
MGLL Q99685 1/20 0.43
IDO1 P14902 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CES2 O00748 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL20657453 1.00 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29870252 0.79 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657394 0.79 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19148564 0.79 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657429 0.77 NOS1 (0.44) NOS1NOS2CRHR1IDO1KMT2A
SCHEMBL19148969 0.77 NOS1 (0.44) NOS1NOS2CRHR1IDO1KMT2A
SCHEMBL19148232 0.76 MPI (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657440 0.76 MPI (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657505 0.76 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657504 0.76 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C

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-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-23 US disclosed
US-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 US 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-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES KCNQ1, KCNQ2, KCNQ4 HTR3E 1006/4885HTR3B 571/4885HTR3A 965/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 HTR3E 1006/4885HTR3B 571/4885HTR3A 965/4885

“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.