SCHEMBL20227948

SCHEMBL20227948

CNc1ccc(CC(C)(C)N)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
NNMT P40261 1/20 0.42
HCAR3 P49019 1/20 0.40
CPB2 Q96IY4 1/20 0.38
APP P05067 3/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 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
SCHEMBL12867094 0.85 HCAR3 (0.42) NNMTHCAR3CPB2APPCYP11B1
SCHEMBL22388076 0.81 HCAR3 (0.39) NNMTHCAR3CPB2CYP11B1CYP11B2
SCHEMBL18270406 0.81 CPB2 (0.40) NNMTHCAR3CPB2APPCYP11B1
Hydrochloric Acid SCHEMBL28410712 0.79 HCAR3 (0.40) SLC6A2SLC6A4SLC6A3NNMTHCAR3
SCHEMBL479854 0.77 NNMT (0.47) NNMTHCAR3CPB2APPCYP11B1
SCHEMBL22255185 0.76 HCAR3 (0.41) SLC6A2SLC6A4SLC6A3NNMTHCAR3
SCHEMBL12020150 0.75 HCAR3 (0.46) NNMTHCAR3CPB2APPCYP11B1
SCHEMBL5040778 0.74 ALDH1A1 (0.57) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL23073868 0.74 NR3C2 (0.44) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL22254985 0.74 HCAR3 (0.39) NNMTHCAR3CPB2APPCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-06-07 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 (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-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR3, FGFR2 SLC6A2 4363/4885HTR2A 4295/4885SLC6A4 4427/4885

“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.