SCHEMBL17174403

SCHEMBL17174403

Cc1nccnc1-c1ccc(OC(C)(C)C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.36
CRHR1 P34998 2/20 0.35
DRD1 P21728 2/20 0.34
RIPK1 Q13546 1/20 0.32
CDC7 O00311 2/20 0.32
DBF4 Q9UBU7 2/20 0.32
CCNT1 O60563 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CDK9 P50750 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KIF11 P52732 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL17178285 0.83 HSP90AA1 (0.46) HASPINCRHR1CDC7DBF4CCNT1
SCHEMBL17174296 0.80 CRHR1 (0.37) HASPINCRHR1DRD1RIPK1KIF11
SCHEMBL17174399 0.80 DRD1 (0.43) CRHR1DRD1CDC7DBF4CCNT1
SCHEMBL15705505 0.78 DRD1 (0.50) CRHR1DRD1RIPK1
SCHEMBL19390571 0.76 NPC1 (0.41) CRHR1CDC7DBF4CCNE1CDK2
SCHEMBL19390570 0.73 ESR1 (0.46) CCNE1CDK2
SCHEMBL15698764 0.73 PTPN1 (0.41) HASPINALDH1A1
SCHEMBL17174314 0.72 HSP90AA1 (0.39) HASPINCRHR1HSP90AA1HSP90AB1KIF11
SCHEMBL17174300 0.72 SYK (0.34) HASPINDRD1RIPK1
SCHEMBL17174298 0.71 GAA (0.42) L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 US disclosed
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 US disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
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-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 (3 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-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands COMT, DRD2, NR3C1 HASPIN 693/4885CRHR1 91/4885DRD1 5/4885
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 HASPIN 916/4885CRHR1 123/4885DRD1 10/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 HASPIN 648/4885CRHR1 31/4885DRD1 10/4885

“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.