SCHEMBL29314690

SCHEMBL29314690

COc1cccc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MCHR1 Q99705 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD4 P21917 5/20 0.40
CFTR P13569 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CDC7 O00311 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38

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
SCHEMBL29314628 0.92 NPC1 (0.38) RAB9ASMN1; SMN2NPC1TP53CFTR
SCHEMBL29320239 0.90 TLR7 (0.41) RAB9ASMN1; SMN2NPC1CYP2C9CYP2C19
SCHEMBL29314687 0.89 NAMPT (0.39) ADORA3ADORA2ACDC7DAPK3JAK2
SCHEMBL29314693 0.89 MCHR1 (0.40) MCHR1ADORA3ADORA2AADORA1CDC7
SCHEMBL29314631 0.87 ABL1 (0.45) RAB9ACYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL29320641 0.86 TLR8 (0.35) ADORA3ADORA2AADORA1ROCK2MAP4K4
SCHEMBL29320261 0.86 TLR8 (0.39) CFTRADORA3DYRK1AHPGDMEN1
SCHEMBL29320251 0.86 NAMPT (0.36) CFTRMAP4K4MEN1KMT2A
SCHEMBL29314661 0.86 CFTR (0.40) HSD17B10CFTRADORA3ADORA2AADORA1
SCHEMBL29320623 0.85 TLR7 (0.36) RAB9ASMN1; SMN2NPC1TP53HSD17B10

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 RAB9A 4300/4885SMN1; SMN2 4781/4885NPC1 84/4885

“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.