SCHEMBL23707258

SCHEMBL23707258

CNc1ccc(C(C)N2CCOCC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
OGA O60502 3/20 0.38
LRRK2 Q5S007 1/20 0.38
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2D6 P10635 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL20037435 0.82 CHRM2 (0.45) OGACYP2D6
SCHEMBL23132887 0.80 P2RX7 (0.45) LTA4HOGALRRK2ALDH1A1CYP3A4
SCHEMBL23089232 0.79 DEGS1 (0.47) LRRK2ALDH1A1TSHR
SCHEMBL23090514 0.79 LTA4H (0.41) LTA4HTLR8TLR7OGALRRK2
SCHEMBL29814584 0.79 PIK3CA (0.43) LTA4HOGAPIK3CACYP3A4TSHR
SCHEMBL29814647 0.79 LTA4H (0.41) LTA4HTLR8TLR7OGALRRK2
SCHEMBL23103438 0.79 LTA4H (0.41) LTA4HTLR8TLR7OGALRRK2
SCHEMBL23103435 0.79 LTA4H (0.41) LTA4HTLR8TLR7OGALRRK2
SCHEMBL113875 0.79 LTA4H (0.41) LTA4HOGALRRK2PIK3CAALDH1A1
SCHEMBL23103433 0.79 LTA4H (0.41) LTA4HTLR8TLR7OGALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 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-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 LTA4H 2788/4885TLR8 4033/4885TLR7 4220/4885

“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.