SCHEMBL17178299

SCHEMBL17178299

COc1ccc(-c2nc(N)cnc2C)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.50
HSP90AB1 P08238 2/20 0.50
CRHR1 P34998 6/20 0.46
DRD1 P21728 1/20 0.45
CDC7 O00311 2/20 0.44
DBF4 Q9UBU7 2/20 0.44
CCNT1 O60563 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
CDK9 P50750 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL19390837 0.89 DRD1 (0.45) HSP90AA1HSP90AB1CRHR1DRD1CDC7
SCHEMBL17178245 0.86 DRD1 (0.58) CRHR1DRD1MEN1KMT2AMAPT
SCHEMBL17174399 0.85 DRD1 (0.43) HSP90AA1HSP90AB1CRHR1DRD1CDC7
SCHEMBL15698788 0.83 DRD1 (0.45) DRD1MAPTHTTKDM4EALDH1A1
SCHEMBL15698758 0.80 CRHR1 (0.47) CRHR1DRD1MEN1KMT2AMAPT
SCHEMBL19390835 0.80 ESR1 (0.44) DRD1KMT2ALIMK1
SCHEMBL17178285 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1CRHR1CDC7DBF4
SCHEMBL17178231 0.77 HSP90AA1 (0.55) HSP90AA1HSP90AB1CRHR1CDC7DBF4
SCHEMBL19371548 0.75 DRD1 (0.81) DRD1
SCHEMBL2415584 0.73 SCN2A (0.51) HSP90AA1HSP90AB1MEN1KMT2AMAPT

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 HSP90AA1 3232/4885HSP90AB1 2512/4885CRHR1 123/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 HSP90AA1 1700/4885HSP90AB1 1225/4885CRHR1 31/4885

“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.