SCHEMBL22017900

SCHEMBL22017900

OCCCc1nc2cnc3cc(-c4ccccc4)ccc3c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
MAPK14 Q16539 2/20 0.40
RAD52 P43351 1/20 0.39
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
MAP4K4 O95819 1/20 0.38
TYK2 P29597 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
SRPK1 Q96SB4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
NLRP3 Q96P20 2/20 0.37
CSF1R P07333 1/20 0.37
PKM P14618 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP19A1 P11511 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
JAK2 O60674 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
SCHEMBL19475394 0.83 POLB (0.44) RAD52PKMPDE10AJAK2POLB
SCHEMBL20943764 0.79 NLRP3 (0.51) EGFRMAPK14RAD52PRKAG1PRKAA2
SCHEMBL20943865 0.73 PRMT5 (0.40) RAD52MAP4K4TYK2CLK4NLRP3
SCHEMBL10123198 0.71 POLB (0.45) PDE10APOLBPARP1
SCHEMBL14665682 0.71 RAD52 (0.55) RAD52PRKAG1PRKAA2PRKAB1PKM
SCHEMBL30634388 0.71 KDM4E (0.44) PARP1
SCHEMBL20943829 0.70 NLRP3 (0.41) RAD52MAP4K4MINK1CLK4NLRP3
SCHEMBL15722032 0.70 PARP1 (0.59) POLBPARP1TLR7
SCHEMBL29769683 0.70 PARP1 (0.59) POLBPARP1TLR7
SCHEMBL20970194 0.70 NLRP3 (0.42) RAD52NLRP3PKMDHFRTLR7

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-11072612-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2021-07-27 US disclosed
US-20200157097-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-05-21 US 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-11072612-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 EGFR 4492/4885MAPK14 2332/4885RAD52 4422/4885
US-20200157097-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 EGFR 4492/4885MAPK14 2332/4885RAD52 4422/4885

“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.