SCHEMBL29314631

SCHEMBL29314631

Cc1ccc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.45
BCR P11274 5/20 0.45
KDM4E B2RXH2 6/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ATR Q13535 1/20 0.38
NAMPT P43490 3/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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) ABL1BCRKDM4ENAMPTALDH1A1
SCHEMBL29314632 0.92 ABL1 (0.45) ABL1BCRNAMPT
SCHEMBL29320239 0.92 TLR7 (0.41) ABL1BCRKDM4EATRNAMPT
SCHEMBL29320251 0.91 NAMPT (0.36) ABL1BCRNAMPTTLR8TLR7
SCHEMBL29314715 0.89 MAPT (0.36) ABL1BCRATRNAMPTTLR8
SCHEMBL23037710 0.89 TLR7 (0.40) NAMPTTLR8TLR7
SCHEMBL29320192 0.88 TLR7 (0.39) NAMPTTLR8TLR7CYP3A4
SCHEMBL29314637 0.87 TLR7 (0.35) ABL1BCRKDM4ENAMPTALDH1A1
SCHEMBL23037631 0.87 TLR7 (0.44) ABL1BCRKDM4EATRNAMPT
SCHEMBL30539907 0.87 TLR7 (0.44) ABL1BCRKDM4EATRNAMPT

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 ABL1 4655/4885BCR 2330/4885KDM4E 3888/4885

“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.