SCHEMBL25048626

SCHEMBL25048626

CNCc1cccc2cn[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ NOS1 P29475 3/20 0.49
▸ BRD4 O60885 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ LTK P29376 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MAP2K2 P36507 1/20 0.42
▸ FLT3 P36888 1/20 0.42

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
SCHEMBL12181032 0.80 NOS1 (0.53) HTR2AHTR2CNOS1BRD4GLA
SCHEMBL24249558 0.77 NOS1 (0.50) HTR2AHTR2CNOS1BRD4GLA
SCHEMBL27458594 0.77 NOS1 (0.53) HTR2AHTR2CNOS1BRD4GLA
SCHEMBL18584951 0.77 NOS1 (0.58) HTR2AHTR2CNOS1BRD4GLA
SCHEMBL23653921 0.77 NOS1 (0.53) HTR2AHTR2CNOS1BRD4GLA
SCHEMBL30829740 0.77 NOS1 (0.53) HTR2AHTR2CNOS1BRD4GLA
SCHEMBL14737640 0.77 NOS1 (0.53) HTR2AHTR2CNOS1BRD4GLA
SCHEMBL24678700 0.76 NOS1 (0.49) HTR2AHTR2CNOS1BRD4GLA
SCHEMBL26853472 0.76 NOS1 (0.49) HTR2AHTR2CNOS1BRD4GLA
Bromide SCHEMBL30647117 0.75 NOS1 (0.56) HTR2AHTR2CNOS1BRD4GLA

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 9 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 HTR2A 3818/4885HTR2C 4301/4885NOS1 568/4885
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 HTR2A 3217/4885HTR2C 4044/4885NOS1 785/4885
US-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD HTR2A 3442/4885HTR2C 4190/4885NOS1 489/4885
US-20230051130-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 HTR2A 3217/4885HTR2C 4044/4885NOS1 785/4885
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 HTR2A 3217/4885HTR2C 4044/4885NOS1 785/4885

“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.

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