SCHEMBL29909849

SCHEMBL29909849

CN(c1cccc(-c2ccc(OCC(F)(F)F)nc2)c1)c1nc2nnc(Cl)n2c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.37
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
FYN P06241 1/20 0.34
CYP1A2 P05177 1/20 0.34
SYK P43405 2/20 0.34
ATM Q13315 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PSD A5PKW4 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
DGAT1 O75907 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
PTGES O14684 2/20 0.32
GRIN2B Q13224 1/20 0.31

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
SCHEMBL29909078 0.92 PTGDR2 (0.37) SCN9AALDH1A1RECQLABCG2FYN
SCHEMBL29909687 0.89 ABCG2 (0.37) ABCG2ATM
SCHEMBL29909361 0.89 HSD17B1 (0.39) ABCG2CYP1A2ATMPSDKDR
SCHEMBL29909713 0.88 ABCG2 (0.34) ABCG2FYNATM
SCHEMBL29909750 0.87 ABCG2 (0.36) ABCG2GRIN2B
SCHEMBL29909758 0.87 ABCG2 (0.37) ABCG2GRIN2B
SCHEMBL29909708 0.86 ABCG2 (0.41) ALDH1A1ABCG2ATM
SCHEMBL29909353 0.85 ABCG2 (0.37) ABCG2ATMPSD
SCHEMBL29909024 0.85 ABCG2 (0.37) SCN9AABCG2
SCHEMBL29909741 0.84 NPC1 (0.43) ABCG2PSD

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-12054490-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-08-06 US disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP 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-12054490-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK SCN9A 4747/4885ALDH1A1 4095/4885RECQL 2820/4885

“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.