SCHEMBL13605404

SCHEMBL13605404

CNCc1ccc2[nH]ncc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.58
ROCK2 O75116 5/20 0.49
ROCK1 Q13464 5/20 0.49
NOS1 P29475 3/20 0.49
CSNK2A1 P68400 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
METAP2 P50579 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAOB P27338 1/20 0.48
CLK4 Q9HAZ1 4/20 0.46
CLK2 P49760 3/20 0.46
DYRK1A Q13627 3/20 0.46

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
SCHEMBL7428149 0.86 INSR (0.54) MAPK1NOS1MEN1KMT2AMETAP2
SCHEMBL1572950 0.84 SLC6A2 (0.52) MAPK1ROCK2ROCK1MEN1KMT2A
SCHEMBL10210705 0.83 MAPK1 (0.62) MAPK1ROCK2ROCK1NOS1CSNK2A1
SCHEMBL269208 0.82 MAPK1 (0.55) MAPK1ROCK2ROCK1NOS1CSNK2A1
SCHEMBL764032 0.80 CDC7 (0.55) MAPK1ROCK2ROCK1NOS1CSNK2A1
SCHEMBL21387793 0.80 MAPK1 (0.71) MAPK1ROCK2ROCK1CSNK2A1MEN1
SCHEMBL8666610 0.80 NOS1 (0.57) MAPK1ROCK2ROCK1NOS1CSNK2A1
SCHEMBL22431842 0.79 MAPK1 (0.48) MAPK1ROCK2ROCK1NOS1CSNK2A1
SCHEMBL22901530 0.77 MAPK1 (0.53) MAPK1ROCK2ROCK1NOS1CSNK2A1
SCHEMBL649688 0.77 MAPK1 (0.53) MAPK1ROCK2ROCK1NOS1CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-11-16 US disclosed
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 US disclosed
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 US disclosed
US-20230051130-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-02-16 US disclosed
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 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 (7 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-11708334-B2 Inhibitors of NLRP3 inflammasome NLRP3, NLRP1, PYCARD MAPK1 164/4885ROCK2 1764/4885ROCK1 1201/4885
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 MAPK1 469/4885ROCK2 2054/4885ROCK1 1522/4885
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL MAPK1 2495/4885ROCK2 3163/4885ROCK1 2645/4885
US-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD MAPK1 375/4885ROCK2 1981/4885ROCK1 1318/4885
US-20230051130-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 MAPK1 469/4885ROCK2 2054/4885ROCK1 1522/4885
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 MAPK1 469/4885ROCK2 2054/4885ROCK1 1522/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL MAPK1 2495/4885ROCK2 3163/4885ROCK1 2645/4885

“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.