SCHEMBL17200320

SCHEMBL17200320

COc1cc(Oc2ncnc3ccsc23)ccc1-c1c(C)ncnc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.53
KDR P35968 5/20 0.41
EGFR P00533 3/20 0.41
LCK P06239 2/20 0.41
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MET P08581 1/20 0.38

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
SCHEMBL17211795 0.86 DRD1 (0.52) DRD1KDREGFRMET
SCHEMBL17200290 0.86 DRD1 (0.52) DRD1KDREGFRHTTMET
SCHEMBL17200289 0.84 DRD1 (0.59) DRD1
SCHEMBL17200294 0.84 DRD1 (0.59) DRD1
SCHEMBL17200334 0.83 DRD1 (0.54) DRD1MET
SCHEMBL17211794 0.81 DRD1 (0.45) DRD1LMNARAB9ACYP1A2CYP3A4
SCHEMBL17200336 0.79 DRD1 (0.53) DRD1KDREGFRCYP1A2CYP2C19
SCHEMBL17200327 0.78 DRD1 (0.42) DRD1KDREGFRCYP1A2CYP2C19
SCHEMBL17200299 0.78 DRD1 (0.52) DRD1KDREGFRCYP1A2CYP2C19
SCHEMBL15698793 0.77 DRD1 (0.55) DRD1LMNARAB9ACYP1A2CYP3A4

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 2/4885KDR 2507/4885EGFR 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.