SCHEMBL17200287

SCHEMBL17200287

Cc1cnnc(C)c1-c1ccc(O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 12/20 0.45
▸ ESR2 Q92731 6/20 0.45
▸ USP7 Q93009 1/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ DRD1 P21728 2/20 0.37
▸ AR P10275 2/20 0.35

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
SCHEMBL15667518 0.85 ESR2 (0.44) ESR1ESR2FGFR1DRD1AR
SCHEMBL15688326 0.79 ESR1 (0.44) ESR1ESR2DRD1
SCHEMBL17178291 0.79 AMY1A (0.45) USP7DRD1
SCHEMBL17200350 0.78 ESR2 (0.43) ESR1ESR2USP7DRD1AR
SCHEMBL17174358 0.76 DRD1 (0.41) DRD1
SCHEMBL17200352 0.73 ESR1 (0.47) ESR1ESR2USP7FGFR1FGFR2
SCHEMBL19390564 0.73 SENP1 (0.45) ESR1ESR2USP7
SCHEMBL19390579 0.70 MEN1 (0.41) ESR1ESR2FGFR1
SCHEMBL16982140 0.69 ESR1 (0.57) ESR1ESR2FGFR1FGFR2AR
SCHEMBL29557461 0.69 ESR1 (0.74) ESR1ESR2FGFR1FGFR2AR

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 6 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-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
WO-2015162515-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 (1 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-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 ESR1 473/4885ESR2 1327/4885USP7 4004/4885

“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.

Send feedback