SCHEMBL17178283

SCHEMBL17178283

COc1ccc(-c2nc(=O)[nH]nc2C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.46
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CRHR1 P34998 3/20 0.42
DYRK1A Q13627 1/20 0.41
CYP1A2 P05177 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
AMY1A P0DUB6 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
USP8 P40818 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19390836 0.87 DRD1 (0.38) DRD1
SCHEMBL15698775 0.87 DRD1 (0.38) DRD1
SCHEMBL17174386 0.85 DRD1 (0.36) DRD1
SCHEMBL17162809 0.79 ESR2 (0.43) ALDH1A1
SCHEMBL17263273 0.77 CRHR1 (0.51) CRHR1AMY1A
SCHEMBL15707624 0.77 DRD1 (0.56) DRD1KDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL18721101 0.74 CYP1A2 (0.43) DRD1HTTCYP1A2AMY1APDE3B
SCHEMBL15698741 0.74 DRD1 (0.69) DRD1
SCHEMBL19371644 0.74 DRD1 (0.66) DRD1
SCHEMBL15256081 0.73 CRHR1 (0.48) KDM4EHTTSMN1; SMN2CRHR1ALDH1A1

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 DRD1 10/4885KDM4E 4759/4885HTT 2701/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 DRD1 10/4885KDM4E 4598/4885HTT 237/4885

“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.