SCHEMBL17200327

SCHEMBL17200327

Cc1ncnc(C)c1-c1ccc(Oc2ncnc3ccsc23)c(F)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.42
MET P08581 8/20 0.38
EGFR P00533 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
AXL P30530 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MRGPRX1 Q96LB2 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
TRPA1 O75762 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL17200333 0.84 DRD1 (0.47) DRD1MET
SCHEMBL17200356 0.84 DRD1 (0.47) DRD1
SCHEMBL17200336 0.82 DRD1 (0.53) DRD1METEGFRKITKDR
SCHEMBL17200299 0.81 DRD1 (0.52) DRD1METEGFRKITKDR
SCHEMBL17211795 0.80 DRD1 (0.52) DRD1METEGFRKDR
SCHEMBL17200293 0.80 MET (0.46) DRD1METEGFRKITKDR
SCHEMBL17200320 0.78 DRD1 (0.53) DRD1METEGFRKDRCYP1A2
SCHEMBL17200290 0.75 DRD1 (0.52) DRD1METEGFRKDRAXL
SCHEMBL17200372 0.75 MET (0.38) DRD1METEGFRKITKDR
SCHEMBL17211794 0.75 DRD1 (0.45) DRD1METAXLMKNK1MKNK2

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 9 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-3134087-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2020-03-18 EP disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 US disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 US disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 US 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
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 US 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 DRD1 2/4885MET 2358/4885EGFR 1049/4885

“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.