SCHEMBL17440906

SCHEMBL17440906

CCOc1cc(Br)cc2[nH]ncc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.51
TDO2 P48775 13/20 0.51
DYRK1A Q13627 2/20 0.42
FGFR2 P21802 2/20 0.39
FGFR1 P11362 1/20 0.39
NOS1 P29475 1/20 0.39
METAP2 P50579 1/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL17441894 0.83 TDO2 (0.47) IDO1TDO2DYRK1ACYP2C9
SCHEMBL2008097 0.81 IDO1 (0.56) IDO1TDO2DYRK1ANOS1METAP2
SCHEMBL29990549 0.81 IDO1 (0.56) IDO1TDO2DYRK1ANOS1METAP2
SCHEMBL17440928 0.77 MAOB (0.45) IDO1TDO2METAP2
SCHEMBL25048664 0.76 TSHR (0.46) IDO1TDO2CYP2C9
SCHEMBL29835228 0.76 TSHR (0.46) IDO1TDO2CYP2C9
SCHEMBL29003303 0.75 IDO1 (0.49) IDO1TDO2DYRK1ANOS1METAP2
SCHEMBL27871144 0.75 TDO2 (0.49) IDO1TDO2DYRK1ANOS1METAP2
SCHEMBL28616957 0.74 FGFR1 (0.44) IDO1TDO2FGFR2FGFR1NOS1
SCHEMBL19249080 0.74 IDO1 (0.51) IDO1TDO2

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 22 patents — showing the first 20. 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-11427561-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2022-08-30 US disclosed
EP-3405465-B1 IRAK4 INHIBITING AGENTS BIOGEN MA INC (US) 2021-10-13 EP disclosed
US-20210188809-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2021-06-24 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
EP-3405465-A1 IRAK4 INHIBITING AGENTS Biogen MA Inc. (US) 2018-11-28 EP disclosed
WO-2017127430-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2017-07-27 WO disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 WO disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 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 (9 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 IDO1 1641/4885TDO2 4023/4885DYRK1A 4787/4885
US-10246456-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 IDO1 2532/4885TDO2 4666/4885DYRK1A 2347/4885
US-11427561-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 IDO1 2204/4885TDO2 4729/4885DYRK1A 2226/4885
US-20210188809-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 IDO1 2204/4885TDO2 4729/4885DYRK1A 2226/4885
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 IDO1 1369/4885TDO2 3870/4885DYRK1A 4675/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 IDO1 2532/4885TDO2 4666/4885DYRK1A 2347/4885
US-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD IDO1 1395/4885TDO2 3761/4885DYRK1A 4830/4885
US-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 IDO1 2524/4885TDO2 4645/4885DYRK1A 2105/4885
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 IDO1 1369/4885TDO2 3870/4885DYRK1A 4675/4885

“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.