SCHEMBL17317543

SCHEMBL17317543

FC(F)(F)c1ccc(Cn2nc(C(F)(F)F)c3c2CNCC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.53
HTR2B P41595 3/20 0.53
GRIA2 P42262 3/20 0.45
HTR7 P34969 2/20 0.42
HTR2A P28223 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
KCNK3 O14649 1/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
AADAT Q8N5Z0 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37

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
Hydrochloric Acid SCHEMBL19097302 0.99 HTR2C (0.52) HTR2CHTR2BGRIA2HTR7HTR2A
SCHEMBL17317603 0.91 HTR7 (0.51) HTR2CHTR2BGRIA2HTR7HTR2A
SCHEMBL17317842 0.90 GRIA2 (0.45) HTR2CHTR2BGRIA2HTR7HTR2A
Hydrochloric Acid SCHEMBL17317784 0.89 GRIA2 (0.44) HTR2CHTR2BGRIA2HTR7HTR2A
SCHEMBL17317536 0.89 GRIA2 (0.46) HTR2CHTR2BGRIA2HTR7HTR2A
SCHEMBL17317624 0.89 HTR7 (0.54) HTR2CHTR2BGRIA2HTR7HTR2A
Hydrochloric Acid SCHEMBL19097267 0.88 GRIA2 (0.46) HTR2CHTR2BGRIA2HTR7HTR2A
Hydrochloric Acid SCHEMBL19097303 0.88 HTR7 (0.53) HTR2CHTR2BGRIA2HTR7HTR2A
SCHEMBL17317891 0.86 SMN1; SMN2 (0.49) HTR2CHTR2BGRIA2HTR7HTR2A
Hydrochloric Acid SCHEMBL19097258 0.85 SMN1; SMN2 (0.48) HTR2CHTR2BGRIA2HTR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
EP-3152206-A1 ATX MODULATING AGENTS Biogen MA Inc. (US) 2017-04-12 EP disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 WO disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 WO 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 HTR2C 1020/4885HTR2B 343/4885GRIA2 794/4885

“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.