SCHEMBL6899000

SCHEMBL6899000

COc1ccc(Cn2c(C3(O)CCC3)nc3nc(Cl)nc(N4CCOCC4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
P2RX3 P56373 3/20 0.39
PDE1B Q01064 3/20 0.38
PDE1A P54750 2/20 0.38
PDE1C Q14123 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.36
PIK3CA P42336 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 2/20 0.36
CYP2D6 P10635 2/20 0.36
HRH1 P35367 2/20 0.36
KCNH2 Q12809 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6899031 0.82 PDE10A (0.41) PDE10AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6900338 0.76 MAPT (0.49) PDE10AMAPTL3MBTL1SMN1; SMN2PDE1B
SCHEMBL1836435 0.66 AURKA (0.49) PDE10AMAPTL3MBTL1SMN1; SMN2PDE1B
SCHEMBL28463716 0.63 RAB9A (0.48) MAPTL3MBTL1PIK3CAALDH1A1RAB9A
SCHEMBL27821490 0.63 MAPT (0.43) PDE10AMAPTL3MBTL1SMN1; SMN2PDE1B
SCHEMBL8851946 0.62 RAB9A (0.50) PDE10AMAPTL3MBTL1KDM4EPIK3CA
SCHEMBL10663061 0.62 PDE10A (0.49) PDE10AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL24476642 0.62 DCTPP1 (0.52) MAPTL3MBTL1SMN1; SMN2PDE1BPDE1A
SCHEMBL8851150 0.62 PDE10A (0.48) PDE10AMAPTL3MBTL1SMN1; SMN2KMT2A
SCHEMBL5755331 0.61 SMN1; SMN2 (1.00) MAPTSMN1; SMN2KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828990-B2 N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use GENENTECH, INC. (US) 2014-09-09 US disclosed
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 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-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX7, P2RY1, PNP PDE10A 341/4885MAPT 4237/4885L3MBTL1 3516/4885

“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.