SCHEMBL29314632

SCHEMBL29314632

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3ccc(F)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
NAMPT P43490 15/20 0.44
TDO2 P48775 1/20 0.37
MAP4K4 O95819 1/20 0.36

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
SCHEMBL29314631 0.92 ABL1 (0.45) ABL1BCRNAMPT
SCHEMBL29320239 0.92 TLR7 (0.41) ABL1BCRNAMPTMAP4K4
SCHEMBL29314687 0.91 NAMPT (0.39) ABL1BCRNAMPTMAP4K4
SCHEMBL29320251 0.91 NAMPT (0.36) ABL1BCRNAMPTMAP4K4
SCHEMBL29314628 0.90 NPC1 (0.38) ABL1BCRNAMPT
SCHEMBL23037521 0.89 NAMPT (0.37) ABL1BCRNAMPTMAP4K4
SCHEMBL30539908 0.89 NAMPT (0.37) ABL1BCRNAMPTMAP4K4
SCHEMBL29314651 0.87 NAMPT (0.36) ABL1BCRNAMPTMAP4K4
SCHEMBL23037710 0.87 TLR7 (0.40) NAMPT
SCHEMBL29314682 0.87 TLR8 (0.37) NAMPT

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 ABL1 4655/4885BCR 2330/4885NAMPT 122/4885

“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.