SCHEMBL17228684

SCHEMBL17228684

Cc1ncnc(C)c1-c1ccc(Oc2ncnn3cccc23)c(F)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.44
DRD1 P21728 4/20 0.41
KDR P35968 7/20 0.36
FGFR1 P11362 3/20 0.33
EGFR P00533 3/20 0.32
CYP3A4 P08684 2/20 0.32
EPHB6 O15197 1/20 0.32
RIPK2 O43353 1/20 0.32
STK10 O94804 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
HCK P08631 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
SRC P12931 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
FGFR2 P21802 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
SCHEMBL17228683 0.83 DRD1 (0.50) MAP4K4DRD1KDREGFRMET
SCHEMBL17228681 0.83 DRD1 (0.45) DRD1
SCHEMBL17228773 0.82 DRD1 (0.50) MAP4K4DRD1
SCHEMBL17228686 0.81 MAP4K4 (0.44) MAP4K4DRD1KDREGFRMET
SCHEMBL17228660 0.79 DRD1 (0.54) MAP4K4DRD1
SCHEMBL17228772 0.79 DRD1 (0.50) MAP4K4DRD1
SCHEMBL17228688 0.77 DRD1 (0.50) MAP4K4DRD1KDREGFR
SCHEMBL17228690 0.76 DRD1 (0.53) MAP4K4DRD1
SCHEMBL15698726 0.72 DRD1 (0.43) DRD1KIT
SCHEMBL4818237 0.71 MAP4K4 (0.48) MAP4K4KDREGFRPIK3CAMET

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
US-9856263-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2018-01-02 US disclosed
US-9856263-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2018-01-02 US disclosed
US-20170037049-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-09 US disclosed
US-20170037049-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-09 US disclosed
US-20170037049-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-09 US disclosed
WO-2015166370-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-11-05 WO 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-20170037049-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 MAP4K4 1966/4885DRD1 2/4885KDR 2457/4885

“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.