SCHEMBL22831704

SCHEMBL22831704

COc1cccc2ccc(-c3ccc(N)nc3)nc12

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.63
PARP1 P09874 1/20 0.46
NPC1 O15118 1/20 0.44
NCF1 P14598 4/20 0.43
PDE10A Q9Y233 1/20 0.43
MIF P14174 1/20 0.43

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
SCHEMBL1655715 0.78 MCHR1 (1.00) MCHR1NCF1
SCHEMBL4701200 0.78 NPC1 (0.69) MCHR1NPC1PDE10AMIF
SCHEMBL19603062 0.78 MCHR1 (0.67) MCHR1NPC1PDE10AMIF
SCHEMBL8889339 0.77 MCHR1 (0.57) MCHR1PARP1NPC1PDE10AMIF
SCHEMBL20660519 0.77 MCHR1 (0.54) MCHR1PARP1NPC1PDE10AMIF
SCHEMBL22901625 0.73 PDE10A (0.56) MCHR1NPC1PDE10AMIF
SCHEMBL4432906 0.72 MAP4K4 (0.54) MCHR1PARP1NPC1MIF
SCHEMBL10996108 0.72 PARP1 (0.69) MCHR1PARP1NPC1PDE10A
SCHEMBL2820875 0.71 FEN1 (0.57) PDE10A
SCHEMBL483733 0.71 RAB9A (0.64) NPC1NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344559-B2 PI3KGAMMA inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-31 US claimed
US-20200405730-A1 PI3KGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-12-31 US claimed
WO-2020264120-A1 PI3KGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-30 WO claimed
US-11344559-B2 PI3KGAMMA inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-31 US disclosed
US-11344559-B2 PI3KGAMMA inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-31 US disclosed
US-20200405730-A1 PI3KGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-12-31 US disclosed
US-20200405730-A1 PI3KGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-12-31 US disclosed
WO-2020264120-A1 PI3KGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-30 WO disclosed
WO-2020264120-A1 PI3KGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-30 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 (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-20200405730-A1 PI3KGAMMA INHIBITORS PIK3R5, PI4KB, PIK3R4 MCHR1 4691/4885PARP1 1133/4885NPC1 3286/4885
US-11344559-B2 PI3KGAMMA inhibitors PIK3R5, PI4KB, PIK3R4 MCHR1 4691/4885PARP1 1133/4885NPC1 3286/4885

“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.