SCHEMBL17200372

SCHEMBL17200372

Cc1ncnc(C)c1-c1cc(F)c(Oc2ncnc3ccsc23)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
AURKA O14965 1/20 0.36
TEK Q02763 1/20 0.36
AURKB Q96GD4 1/20 0.36
AXL P30530 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.34
DRD1 P21728 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2C P28335 1/20 0.33
NR2C2 P49116 1/20 0.32
TAB1 Q15750 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
SCHEMBL17200293 0.88 MET (0.46) METEGFRKITKDRFLT3
SCHEMBL17200375 0.83 DRD1 (0.40) METMRGPRX1DRD1TRPA1
SCHEMBL17200371 0.83 DRD1 (0.39) DRD1
SCHEMBL17211794 0.81 DRD1 (0.45) METAXLMKNK1MKNK2MRGPRX1
SCHEMBL17200336 0.81 DRD1 (0.53) METEGFRKITKDRFLT3
SCHEMBL17200299 0.80 DRD1 (0.52) METEGFRKITKDRFLT3
SCHEMBL17211795 0.79 DRD1 (0.52) METEGFRKDRDRD1
SCHEMBL17200327 0.75 DRD1 (0.42) METEGFRKITKDRFLT3
SCHEMBL17200320 0.71 DRD1 (0.53) METEGFRKDRDRD1CYP2C9
SCHEMBL17200290 0.71 DRD1 (0.52) METEGFRKDRAXLMKNK1

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 MET 2358/4885EGFR 1049/4885KIT 4717/4885

“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.