SCHEMBL6900338

SCHEMBL6900338

COc1ccc(Cn2cnc3nc(Cl)nc(N4CCOCC4)c32)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDE10A Q9Y233 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.47
NOS1 P29475 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CA P42336 3/20 0.41
MET P08581 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
PIK3R1 P27986 2/20 0.40

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
SCHEMBL17589999 0.80 SMN1; SMN2 (0.42) MAPTL3MBTL1PDE10ASMN1; SMN2KMT2A
SCHEMBL30020920 0.80 MET (0.47) MAPTL3MBTL1SMN1; SMN2KMT2AALDH1A1
SCHEMBL6900306 0.80 MET (0.47) MAPTL3MBTL1SMN1; SMN2KMT2AALDH1A1
SCHEMBL21883518 0.79 MET (0.46) MAPTL3MBTL1KMT2AALDH1A1MET
SCHEMBL30021455 0.79 MET (0.46) MAPTL3MBTL1KMT2AALDH1A1MET
SCHEMBL21740864 0.77 MTOR (0.41) L3MBTL1SMN1; SMN2KMT2AALDH1A1NPSR1
SCHEMBL6899000 0.76 PDE10A (0.44) MAPTL3MBTL1PDE10ASMN1; SMN2KMT2A
SCHEMBL31339147 0.75 MTOR (0.48) MAPTL3MBTL1SMN1; SMN2KMT2ANPSR1
SCHEMBL1609125 0.75 MTOR (0.48) MAPTL3MBTL1SMN1; SMN2KMT2ANPSR1
SCHEMBL23122412 0.74 SMN1; SMN2 (0.48) MAPTL3MBTL1PDE10ASMN1; SMN2KMT2A

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 MAPT 4237/4885L3MBTL1 3516/4885PDE10A 341/4885

“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.