SCHEMBL17200288

SCHEMBL17200288

Cc1cc(O)ccc1-c1c(C)ncnc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 4/20 0.49
▸ AR P10275 1/20 0.43
▸ ESR2 Q92731 9/20 0.41
▸ ESR1 P03372 8/20 0.41
▸ USP7 Q93009 1/20 0.38
▸ USP47 Q96K76 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ FGFR1 P11362 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ SRC P12931 1/20 0.36

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
SCHEMBL15666826 0.86 DRD1 (0.51) DRD1ARESR2ESR1USP7
SCHEMBL19390810 0.85 DRD1 (0.51) DRD1USP7
SCHEMBL15667373 0.84 ESR2 (0.50) DRD1ESR2ESR1HSD17B1MEN1
SCHEMBL15698836 0.80 DRD1 (0.58) DRD1
SCHEMBL19479326 0.79 DRD1 (0.57) DRD1
SCHEMBL19390776 0.77 AR (0.42) ARESR2ESR1USP7USP47
SCHEMBL15667391 0.77 ESR2 (0.47) DRD1ARESR2ESR1USP7
SCHEMBL19390799 0.77 PIK3CD (0.49) ESR2ESR1USP7HSD17B1MEN1
SCHEMBL15705497 0.77 DRD1 (0.55) DRD1
SCHEMBL19390793 0.75 ESR1 (0.44) DRD1ESR2ESR1HSD17B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134087-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2020-03-18 — — EP disclosed
EP-3134405-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2019-08-28 — — EP disclosed
US-20180346477-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2018-12-06 — — US disclosed
US-10077272-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2018-09-18 — — US disclosed
US-20180072750-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2018-03-15 — — US disclosed
US-9868744-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2018-01-16 — — US disclosed
EP-2917219-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2017-09-27 — — EP disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 — — US disclosed
EP-3134087-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc. (US) 2017-03-01 — — EP disclosed
EP-3134405-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc. (US) 2017-03-01 — — EP disclosed
US-20170037053-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-09 — — US disclosed
WO-2015162515-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 — — WO disclosed
WO-2015162518-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 — — WO disclosed
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 — — 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 (5 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-10077272-B2 Heteroaromatic compounds and their use as dopamine D1 ligands DRD2, DRD1, DRD4 DRD1 2/4885AR 1658/4885ESR2 1327/4885
US-20180072750-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 DRD1 2/4885AR 1658/4885ESR2 1327/4885
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 DRD1 2/4885AR 1658/4885ESR2 1327/4885
US-20170037053-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 DRD1 2/4885AR 1880/4885ESR2 1397/4885
US-20180346477-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 DRD1 2/4885AR 1658/4885ESR2 1327/4885

“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.

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