SCHEMBL29314845

SCHEMBL29314845

COCCn1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.52
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
JAK2 O60674 1/20 0.40
TLR7 Q9NYK1 1/20 0.36
SCN4A P35499 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
NOTUM Q6P988 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33

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
SCHEMBL30539887 0.87 NLRP3 (0.53) NLRP3NPC1RAB9AJAK2NOTUM
SCHEMBL23037647 0.87 NLRP3 (0.53) NLRP3NPC1RAB9AJAK2NOTUM
SCHEMBL29314843 0.85 NLRP3 (0.56) NLRP3NPC1RAB9AJAK2L3MBTL1
SCHEMBL29322740 0.85 NLRP3 (0.47) NLRP3NPC1RAB9AJAK2TLR7
SCHEMBL29325685 0.81 NLRP3 (0.49) NLRP3NPC1RAB9AJAK2TLR7
SCHEMBL27194823 0.77 NLRP3 (0.49) NLRP3JAK2ROCK2ROCK1NOTUM
SCHEMBL29314840 0.76 NLRP3 (0.44) NLRP3L3MBTL1
SCHEMBL26789199 0.75 NLRP3 (0.45) NLRP3NPC1RAB9AJAK2TLR7
SCHEMBL29322786 0.75 NLRP3 (0.48) NLRP3NPC1RAB9AJAK2TLR7
SCHEMBL29322759 0.74 TLR8 (0.53) NLRP3NPC1RAB9AJAK2TLR7

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 NLRP3 1/4885NPC1 84/4885RAB9A 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.