SCHEMBL29315513

SCHEMBL29315513

COCCNC(=O)Cn1cc2c(n1)c(N)nc1cc(-c3cc[nH]n3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.36
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2B Q13224 2/20 0.35
TP53 P04637 3/20 0.35
HPGD P15428 1/20 0.35
GRIN1 Q05586 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL29314416 0.90 TLR7 (0.37) MAPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29315523 0.85 TLR8 (0.32)
SCHEMBL29315507 0.85 TLR7 (0.35) POLBALDH1A1RXFP1KDM4EMAPT
SCHEMBL29057286 0.84 TLR7 (0.40) KDM4EMAPTTP53
SCHEMBL29315537 0.84 TLR7 (0.33)
SCHEMBL29057282 0.84 TLR7 (0.42) ALDH1A1KDM4EMAPT
SCHEMBL29315533 0.84 MPO (0.38) CYP3A4
SCHEMBL29320220 0.83 TLR8 (0.37)
SCHEMBL29315519 0.83 MAP4K4 (0.35) KDR
SCHEMBL29320192 0.82 TLR7 (0.39) CYP3A4

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 POLB 3822/4885MAPK1 1645/4885RAB9A 4300/4885

“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.