SCHEMBL29314480

SCHEMBL29314480

Nc1nc2cc(-c3cc[nH]n3)ccc2c2[nH]c(CCNC(=O)c3cnco3)cc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.35
NAMPT P43490 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
MCL1 Q07820 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
SCHEMBL29314466 0.91
SCHEMBL29314485 0.83 NAMPT (0.36) DHFRNAMPT
SCHEMBL29315396 0.82 NAMPT (0.36) DHFRNAMPT
SCHEMBL29325305 0.82 NAMPT (0.42) NAMPT
SCHEMBL29315466 0.81 NAMPT (0.35) DHFRNAMPT
SCHEMBL29314482 0.81 HIF1A (0.42) DHFRNAMPT
SCHEMBL29325284 0.80 NAMPT (0.40) DHFRNAMPT
SCHEMBL29314478 0.79 NAMPT (0.38) DHFRNAMPT
SCHEMBL29315385 0.77 DHFR (0.36) DHFRNAMPT
SCHEMBL29315388 0.77 ALDH1A1 (0.34) DHFRNAMPT

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 DHFR 2463/4885NAMPT 122/4885HRH3 3642/4885

“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.