SCHEMBL29909301

SCHEMBL29909301

CN(c1ccccc1)c1nc2nncn2c2cc(C#CCN)ccc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
PDE5A O76074 2/20 0.32
PDGFRB P09619 1/20 0.31
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CREBBP Q92793 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
SCHEMBL23576696 1.00 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL23600546 0.91 ALOX15 (0.33) CYP1A2ABCG2PDE5AMAPTSMN1; SMN2
SCHEMBL29909733 0.90 SLC6A4 (0.34) ABCG2PDE5AMAPTSMN1; SMN2
SCHEMBL23577025 0.90 SLC6A4 (0.34) ABCG2PDE5AMAPTSMN1; SMN2
SCHEMBL23601182 0.89 PDE5A (0.33) ABCG2PDE5AMAPTSMN1; SMN2
SCHEMBL23601201 0.88 GRM5 (0.36) ABCG2PDE5AMAPTSMN1; SMN2
SCHEMBL29909000 0.87 CYP1A1 (0.39) CYP1A2ABCG2PDE5AMAPTSMN1; SMN2
SCHEMBL23577064 0.87 CYP1A1 (0.39) CYP1A2ABCG2PDE5AMAPTSMN1; SMN2
SCHEMBL23576792 0.85 PDPK1 (0.38) MAPT
SCHEMBL23577272 0.84 ABCG2 (0.32) ABCG2PDE5AMAPTSMN1; SMN2

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 CYP1A2 4595/4885CYP3A4 4334/4885CYP2C9 4853/4885

“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.