SCHEMBL19110604

SCHEMBL19110604

Cc1ccc(Cn2nc(C)c3c2CNCC3)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR2A P28223 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 2/20 0.31
PNMT P11086 1/20 0.31
PRMT6 Q96LA8 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
KCNH2 Q12809 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19123911 0.84 GRIA2 (0.39) HTR7ALDH1A1GAAMAPT
SCHEMBL19110600 0.77 HTR7 (0.43) HTR7KDM4EALDH1A1HTR2AHTR1A
SCHEMBL19110591 0.77 HTR7 (0.54) HTR7KDM4EHTR2AHTR1AHTR2C
SCHEMBL19110587 0.76 HTR7 (0.53) HTR7HTR2AHTR1AHTR2CHTR2B
SCHEMBL19110586 0.75 SLC2A1 (0.48) HTR7KCNH2SIGMAR1
SCHEMBL19110602 0.73 CYP1A2 (0.40) HTR7KDM4EALDH1A1HTR2AHTR1A
SCHEMBL19110601 0.72 ALDH1A1 (0.42) HTR7ALDH1A1HTR2AHTR1AHTR2C
SCHEMBL19110605 0.72 LMNA (0.45) HTR7KDM4EALDH1A1HTR2AHTR1A
SCHEMBL19110592 0.70 HTR7 (0.41) HTR7HTR2AHTR1AHTR2CHTR2B
SCHEMBL17328048 0.70 HTR7 (0.37) HTR7HTR2AHTR1AHTR2CHTR2B

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-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 HTR7 755/4885KDM4E 2571/4885ALDH1A1 4081/4885

“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.