SCHEMBL17178249

SCHEMBL17178249

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
DHFR P00374 1/20 0.47
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TLR8 Q9NR97 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL17178253 0.86 USP8 (0.44) NPC1DHFRHSP90AA1HSP90AB1MAPT
SCHEMBL17178280 0.85 CRHR1 (0.43) MAPTMEN1KMT2ANPSR1CYP1A2
SCHEMBL17178327 0.83 NPC1 (0.44) NPC1CRHR1
SCHEMBL17174304 0.83 KMT2A (0.37) NPC1DHFRMAPTALDH1A1HTT
SCHEMBL15667285 0.79 DRD1 (0.55) CRHR1
SCHEMBL17178230 0.77 CYP1A2 (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17178279 0.77 NCF1 (0.51) NPC1DHFRHSP90AA1HSP90AB1MAPT
SCHEMBL2402669 0.76 DRD1 (0.47) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL15698765 0.76 DRD1 (0.46) KMT2A
SCHEMBL19390547 0.76 ESR2 (0.47) NPC1MAPTALDH1A1MEN1KMT2A

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 NPC1 2302/4885DHFR 3323/4885HSP90AA1 3232/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 NPC1 732/4885DHFR 1704/4885HSP90AA1 1700/4885

“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.