SCHEMBL22249504

SCHEMBL22249504

Nc1nc(NCCc2cnc[nH]2)c2ccc(-c3ccn[nH]3)cc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.64
PRKACA P17612 1/20 0.47
CLK4 Q9HAZ1 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C19 P33261 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
CYP2C9 P11712 3/20 0.45
HIF1A Q16665 3/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
HBB P68871 1/20 0.45
ILK Q13418 2/20 0.40
CLK1 P49759 1/20 0.40

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
SCHEMBL22249489 0.90 NLRP3 (0.67) NLRP3PRKACAAPP
SCHEMBL20651423 0.84 NLRP3 (0.46) NLRP3PRKACACLK4CYP1A2CYP3A4
SCHEMBL22249505 0.82 NLRP3 (0.64) NLRP3CYP1A2CYP3A4APP
SCHEMBL22249577 0.81 NLRP3 (0.75) NLRP3APP
SCHEMBL23513877 0.80 NLRP3 (0.77) NLRP3APP
SCHEMBL22249404 0.80 NLRP3 (0.73) NLRP3CYP1A2APP
SCHEMBL22249556 0.80 NLRP3 (0.81) NLRP3APP
SCHEMBL22249490 0.79 NLRP3 (0.72) NLRP3APP
SCHEMBL22249557 0.79 NLRP3 (0.79) NLRP3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28738541 0.79 NLRP3 (0.78) NLRP3APP

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-20220089571-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-03-24 US disclosed
WO-2020150113-A1 SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY, INC. (US) 2020-07-23 WO 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-20220089571-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD NLRP3 1/4885PRKACA 2012/4885CLK4 3936/4885

“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.