SCHEMBL17317536

SCHEMBL17317536

Cc1ccc(Cn2nc(C(F)(F)F)c3c2CNCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 4/20 0.46
MAPT P10636 4/20 0.46
HTR2C P28335 3/20 0.41
HTR7 P34969 2/20 0.41
HTR2B P41595 2/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
TP53 P04637 1/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 1/20 0.37
AADAT Q8N5Z0 1/20 0.36

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 SCHEMBL19097267 0.99 GRIA2 (0.46) GRIA2MAPTHTR2CHTR7HTR2B
SCHEMBL17317603 0.90 HTR7 (0.51) GRIA2MAPTHTR2CHTR7HTR2B
SCHEMBL17317543 0.89 HTR2C (0.53) GRIA2MAPTHTR2CHTR7HTR2B
SCHEMBL17317842 0.89 GRIA2 (0.45) GRIA2HTR2CHTR7HTR2BHTR1A
Hydrochloric Acid SCHEMBL17317784 0.88 GRIA2 (0.44) GRIA2HTR2CHTR7HTR2BHTR1A
Hydrochloric Acid SCHEMBL19097302 0.88 HTR2C (0.52) GRIA2MAPTHTR2CHTR7HTR2B
SCHEMBL17317624 0.88 HTR7 (0.54) GRIA2HTR2CHTR7HTR2BHTR1A
SCHEMBL17317891 0.87 SMN1; SMN2 (0.49) GRIA2MAPTHTR2CHTR7HTR2B
Hydrochloric Acid SCHEMBL19097303 0.86 HTR7 (0.53) GRIA2HTR2CHTR7HTR2BHTR1A
Hydrochloric Acid SCHEMBL19097258 0.86 SMN1; SMN2 (0.48) GRIA2MAPTHTR2CHTR7HTR2B

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 GRIA2 794/4885MAPT 1228/4885HTR2C 1020/4885

“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.