SCHEMBL17178271

SCHEMBL17178271

COc1cc(F)c(-c2c(C)ncnc2C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
GRM8 O00222 1/20 0.47
GRM7 Q14831 1/20 0.47
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.37
DRD1 P21728 3/20 0.36
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
GRK6 P43250 1/20 0.34
LRRK2 Q5S007 1/20 0.33
DYRK1A Q13627 1/20 0.33
CYP3A4 P08684 1/20 0.33
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSA P10619 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
SCHEMBL21187569 0.88 GRM8 (0.42) CYP1A2GRM8GRM7CYP1A1CYP1B1
SCHEMBL30284765 0.85 CYP1A1 (0.49) CYP1A2GRM8GRM7CYP1A1CYP1B1
SCHEMBL15698769 0.81 CAMKK1 (0.38) CYP1A2GRM8GRM7ALDH1A1DRD1
SCHEMBL30941226 0.81 THRB (0.41) CYP1A2GRM8GRM7CYP1A1CYP1B1
SCHEMBL17174336 0.80 GRM8 (0.35) CYP1A2GRM8GRM7DRD1
SCHEMBL17178258 0.80 CYP1A1 (0.44) CYP1A1CYP1B1ALDH1A1DRD1DYRK1A
SCHEMBL29184350 0.80 CYP1A1 (0.46) CYP1A2GRM8GRM7CYP1A1CYP1B1
SCHEMBL30941304 0.80 CYP1A1 (0.46) CYP1A2GRM8GRM7CYP1A1CYP1B1
SCHEMBL19390557 0.79 DRD1 (0.33) DRD1
SCHEMBL15666746 0.79 DRD1 (0.53) DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 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 (2 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-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 CYP1A2 648/4885GRM8 816/4885GRM7 576/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 CYP1A2 1485/4885GRM8 163/4885GRM7 211/4885

“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.