SCHEMBL4573222

SCHEMBL4573222

COc1cc(F)c(C[NH])c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP1A2 P05177 1/20 0.38
CPS1 P31327 2/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
NQO2 P16083 1/20 0.34
KIF11 P52732 2/20 0.34
TRAP1 Q12931 2/20 0.34
HSP90B1 P14625 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL13073165 0.79 TAAR1 (0.63) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL3776543 0.77 TAAR1 (0.61) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL855100 0.77 TAAR1 (0.73) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL25329989 0.77 TAAR1 (0.61) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL160725 0.77 TAAR1 (0.61) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL2461361 0.77 TAAR1 (0.55) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL20562959 0.76 TAAR1 (1.00) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL13548269 0.76 TAAR1 (0.70) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL2089775 0.74 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CYP1A2SMN1; SMN2
SCHEMBL13547867 0.74 TAAR1 (0.57) TAAR1ALDH1A1KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP TAAR1 965/4885ALDH1A1 1142/4885KDM1A 3610/4885

“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.