SCHEMBL21723944

SCHEMBL21723944

CC(C)(C)OC(=O)NCCC(=O)Nc1cnc2cc(Br)ccc2c1NC1CCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
FPR3 P25089 6/20 0.37
FPR2 P25090 6/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
KDR P35968 1/20 0.37
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
AURKB Q96GD4 1/20 0.37
TERT O14746 3/20 0.35
CYP3A4 P08684 1/20 0.35
AAK1 Q2M2I8 3/20 0.35
TDP1 Q9NUW8 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
SCHEMBL21723726 0.87 TERT (0.39) TERTAAK1
SCHEMBL23037527 0.83 KDM4E (0.42) KDM4EPOLBEGFRRAF1KDR
SCHEMBL21723968 0.75 EHMT2 (0.40) EGFR
SCHEMBL23037489 0.73 EGFR (0.51) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL12471807 0.72 EPHX1 (0.44) GBA1EPHX1KDM4EPOLBCYP3A4
SCHEMBL12472645 0.72 EPHX1 (0.38) GBA1EPHX1FPR3FPR2CYP3A4
SCHEMBL1230928 0.71 LATS1 (0.43) FPR3FPR2EGFRRAF1KDR
SCHEMBL26554119 0.71 CA1 (0.46) KDM4EPOLBFPR3FPR2AAK1
SCHEMBL26554150 0.71 AAK1 (0.47) KDM4EPOLBFPR3FPR2AAK1
SCHEMBL203808 0.70 STK17B (0.44) FPR3FPR2EGFRRAF1KDR

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-12024513-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2024-07-02 US disclosed
EP-3837015-B1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS INNATE TUMOR IMMUNITY INC (US) 2024-02-14 EP disclosed
US-20210317118-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-14 US disclosed
EP-3837015-A1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS Innate Tumor Immunity, Inc. (US) 2021-06-23 EP disclosed
CN-112996567-A Imidazo [4,5-C ] quinoline-derived NLRP 3-modulators 先天肿瘤免疫公司 2021-06-18 CN disclosed
WO-2020037092-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-12024513-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD GBA1 2745/4885EPHX1 2530/4885KDM4E 3888/4885
US-20210317118-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD GBA1 2745/4885EPHX1 2530/4885KDM4E 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.