SCHEMBL22249404

SCHEMBL22249404

Nc1nc(NCCCO)c2ccc(-c3ccn[nH]3)cc2n1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.73
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
JAK2 O60674 1/20 0.40
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
APP P05067 2/20 0.39
CYP1A2 P05177 1/20 0.38
PDE5A O76074 1/20 0.38
SYK P43405 1/20 0.38
KCNH2 Q12809 1/20 0.38
NUDT1 P36639 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
SCHEMBL22249490 0.97 NLRP3 (0.72) NLRP3MEN1KMT2AJAK2APP
SCHEMBL22249488 0.96 NLRP3 (0.71) NLRP3MEN1KMT2AJAK2APP
Formic Acid SCHEMBL23500237 0.95 NLRP3 (0.67) NLRP3MEN1KMT2AJAK2PRKCA
SCHEMBL22249577 0.94 NLRP3 (0.75) NLRP3JAK2APPKCNH2
SCHEMBL22249556 0.89 NLRP3 (0.81) NLRP3APP
SCHEMBL22249336 0.88 NLRP3 (0.67) NLRP3JAK2APPKCNH2
SCHEMBL22249557 0.88 NLRP3 (0.79) NLRP3APPCYP1A2
SCHEMBL22249558 0.87 NLRP3 (0.67) NLRP3JAK2APPKCNH2
SCHEMBL23513877 0.86 NLRP3 (0.77) NLRP3JAK2PRKCDAPP
SCHEMBL22249561 0.86 NLRP3 (0.72) NLRP3MEN1KMT2AAPPSYK

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 3 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-2021114691-A1 NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-06-17 WO 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 1/4885MEN1 2808/4885KMT2A 4234/4885

“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.