SCHEMBL29315499

SCHEMBL29315499

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CC(=O)N3CCOCC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
IRAK4 Q9NWZ3 13/20 0.36
FLT3 P36888 3/20 0.36
JAK2 O60674 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 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
SCHEMBL26792311 0.92 CCNC (0.34) CCNCCDK8IRAK4
SCHEMBL29315570 0.90 IRAK4 (0.40) CCNCCDK8IRAK4
SCHEMBL29329331 0.87 KDM1A (0.35) SMN1; SMN2AURKBJAK2
SCHEMBL29315543 0.86 GRIN2B (0.34) CCNCCDK8IRAK4
SCHEMBL29315539 0.86 GRIN2B (0.36)
SCHEMBL29315527 0.86 NR1I2 (0.33) SMN1; SMN2CCNCCDK8JAK2L3MBTL1
SCHEMBL23037607 0.85 FLT3 (0.40) FLT3JAK2
SCHEMBL30539803 0.85 FLT3 (0.40) FLT3JAK2
SCHEMBL29315545 0.85 GRIN2B (0.36) CCNCCDK8JAK2
SCHEMBL26788255 0.85 KDM4E (0.37) SMN1; SMN2CCNCCDK8JAK2L3MBTL1

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-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD SMN1; SMN2 4781/4885AURKA 1967/4885AURKB 758/4885

“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.