SCHEMBL19965723

SCHEMBL19965723

CCc1ccc(N2C3CCC2CN(C2COC2)C3)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.38
MAP3K12 Q12852 5/20 0.34
PARP1 P09874 1/20 0.34
MTOR P42345 2/20 0.33
PIK3CA P42336 1/20 0.33
LRRK2 Q5S007 2/20 0.32
CCR1 P32246 1/20 0.32
OPRK1 P41145 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
BTK Q06187 1/20 0.30

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
SCHEMBL14930355 0.82 CHRNB2 (0.41) PRMT5MAP3K12PIK3CALRRK2USP1
SCHEMBL14925514 0.79 USP1 (0.35) PRMT5MAP3K12MTORPIK3CAUSP1
SCHEMBL19965717 0.78 PIK3CA (0.43) MAP3K12PARP1MTORPIK3CA
SCHEMBL19441976 0.77 MAP3K12 (0.38) MAP3K12MTORPIK3CA
SCHEMBL18291649 0.76 OPRM1 (0.41) PARP1
SCHEMBL19441974 0.76 BTK (0.38) BTK
SCHEMBL23103391 0.75 AR (0.41) PRMT5MAP3K12PARP1
SCHEMBL23114428 0.75 AR (0.41) PRMT5MAP3K12PARP1
SCHEMBL23107398 0.75 AR (0.41) PRMT5MAP3K12PARP1
SCHEMBL21769123 0.75 BTK (0.38) MAP3K12PARP1MTORPIK3CABTK

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-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2021-03-18 US disclosed
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 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-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK PRMT5 2305/4885MAP3K12 114/4885PARP1 734/4885
US-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 PRMT5 2131/4885MAP3K12 109/4885PARP1 990/4885

“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.