SCHEMBL29314693

SCHEMBL29314693

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3cccc(Cl)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
MAP4K4 O95819 3/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KLKB1 P03952 2/20 0.36
CSNK2A2 P19784 4/20 0.36
CSNK2B P67870 4/20 0.36
CSNK2A1 P68400 4/20 0.36
CSNK2A3 Q8NEV1 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FYN P06241 1/20 0.36
CLK2 P49760 3/20 0.36
CDC7 O00311 1/20 0.36
DAPK3 O43293 1/20 0.36
PAK4 O96013 1/20 0.36
CDK2 P24941 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
SCHEMBL29320239 0.91 TLR7 (0.41) MAP4K4MAPTALDH1A1MEN1KMT2A
SCHEMBL29314687 0.91 NAMPT (0.39) MAP4K4ADORA3ADORA2AMAPTCSNK2A1
SCHEMBL29314690 0.89 RAB9A (0.42) MCHR1MAP4K4ADORA3ADORA2AADORA1
SCHEMBL29320261 0.88 TLR8 (0.39) ADORA3MEN1KMT2ADYRK1ANAMPT
SCHEMBL29320594 0.88 TLR8 (0.35) MAP4K4ADORA2AADORA1KLKB1NAMPT
SCHEMBL29320251 0.87 NAMPT (0.36) MAP4K4MEN1KMT2ANAMPT
SCHEMBL29314663 0.87 KDR (0.34) MAPTKLKB1MEN1KMT2ANAMPT
SCHEMBL23037631 0.86 TLR7 (0.44) MAP4K4MAPTALDH1A1GSK3BNAMPT
SCHEMBL29314632 0.86 ABL1 (0.45) MAP4K4NAMPT
SCHEMBL29314631 0.86 ABL1 (0.45) MAPTALDH1A1MEN1KMT2APOLB

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 MCHR1 2621/4885MAP4K4 2159/4885ADORA3 956/4885

“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.