SCHEMBL21723968

SCHEMBL21723968

O=C(COCc1ccccc1)Nc1cnc2cc(Br)ccc2c1NC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.40
HTT P42858 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CSNK1D P48730 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
KIT P10721 2/20 0.36
NAMPT P43490 1/20 0.35
EGFR P00533 1/20 0.35
PARP1 P09874 1/20 0.35
BACE1 P56817 1/20 0.35
FLT3 P36888 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
SCHEMBL21733005 0.82 POLB (0.34) EHMT2MEN1KMT2APKM
SCHEMBL21723726 0.80 TERT (0.39) KMT2ASMN1; SMN2BACE1
SCHEMBL21723944 0.75 GBA1 (0.38) EGFR
SCHEMBL20475932 0.70 MMP1 (0.37) MEN1KMT2ASMN1; SMN2EGFR
SCHEMBL204489 0.70 ADORA3 (0.49) HTTMEN1KMT2ACSNK1DADORA3
SCHEMBL21723986 0.68 IRAK4 (0.40) EGFR
SCHEMBL16709304 0.68 ADORA3 (0.47) HTTMEN1KMT2ACSNK1DADORA3
SCHEMBL3861813 0.67 ALDH1A1 (0.42) HTTMEN1KMT2ASMN1; SMN2
SCHEMBL5146641 0.67 ALDH1A1 (0.49) HTTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL16632075 0.67 ALDH1A1 (0.60) HTTMEN1KMT2ATSHRPTPRC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12201627-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2025-01-21 US disclosed
EP-3837014-B1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-10-19 EP disclosed
US-20210308123-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-07 US disclosed
CN-113038989-A Imidazo [4,5-C ] quinoline-derived NLRP3 modulators 先天肿瘤免疫公司 2021-06-25 CN disclosed
EP-3837014-A1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS Innate Tumor Immunity, Inc. (US) 2021-06-23 EP disclosed
WO-2020037091-A1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2020-02-20 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 (2 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-12201627-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD EHMT2 4212/4885HTT 2959/4885MEN1 3081/4885
US-20210308123-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD EHMT2 4212/4885HTT 2959/4885MEN1 3081/4885

“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.