SCHEMBL22249592

SCHEMBL22249592

Cc1cnc(CNc2nc(N)nc3cc(-c4ccn[nH]4)ccc23)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.67
CYP1A2 P05177 12/20 0.45
CYP3A4 P08684 12/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
HSD17B10 Q99714 5/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP2D6 P10635 9/20 0.44
CYP2C19 P33261 6/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 4/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
RECQL P46063 2/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
MAPK1 P28482 3/20 0.44
HIF1A Q16665 1/20 0.44
USP2 O75604 6/20 0.42

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
SCHEMBL22249414 0.86 NLRP3 (0.67) NLRP3
SCHEMBL22249502 0.84 NLRP3 (0.65) NLRP3ALDH1A1KDM4EHPGD
SCHEMBL22249597 0.83 NLRP3 (0.68) NLRP3ALDH1A1KDM4ETSHRMAPT
SCHEMBL22249415 0.82 NLRP3 (0.73) NLRP3
SCHEMBL22249413 0.82 NLRP3 (0.67) NLRP3
SCHEMBL22249451 0.82 NLRP3 (0.72) NLRP3
SCHEMBL22249257 0.81 NLRP3 (0.66) NLRP3
SCHEMBL22249598 0.81 NLRP3 (0.66) NLRP3
SCHEMBL22249392 0.81 NLRP3 (0.68) NLRP3
SCHEMBL22249450 0.80 NLRP3 (0.67) NLRP3

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 1/4885CYP1A2 554/4885CYP3A4 515/4885

“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.