SCHEMBL17178253

SCHEMBL17178253

COc1ccc(-c2c(C)nc(N)nc2C#N)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP8 P40818 2/20 0.44
ADORA1 P30542 4/20 0.43
ADORA2A P29274 3/20 0.43
NPC1 O15118 2/20 0.43
DHFR P00374 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
DRD1 P21728 2/20 0.39
ADORA2B P29275 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL17174310 0.86 DRD1 (0.37) USP8ADORA1ADORA2AALDH1A1MAPT
SCHEMBL17178249 0.86 NPC1 (0.51) NPC1DHFRALDH1A1MAPTHTT
SCHEMBL19390776 0.81 AR (0.42) ADORA1ADORA2ANPC1ALDH1A1MAPT
SCHEMBL15698836 0.78 DRD1 (0.58) USP8DRD1
SCHEMBL17178242 0.77 DRD1 (0.46) USP8NPC1ALDH1A1MAPTDRD1
SCHEMBL19371642 0.76 DRD1 (0.60) DRD1
SCHEMBL17178327 0.74 NPC1 (0.44) NPC1DRD1
SCHEMBL17178280 0.72 CRHR1 (0.43) MAPTDRD1MEN1KMT2A
SCHEMBL17174304 0.71 KMT2A (0.37) NPC1DHFRALDH1A1MAPTHTT
SCHEMBL17178230 0.68 CYP1A2 (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 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 (2 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-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 USP8 3476/4885ADORA1 148/4885ADORA2A 137/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 USP8 4283/4885ADORA1 471/4885ADORA2A 212/4885

“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.