SCHEMBL2652783

SCHEMBL2652783

CS(=O)(=O)OCc1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
HRH4 Q9H3N8 3/20 0.36
NAMPT P43490 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GRM5 P41594 1/20 0.33
PDE4A P27815 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
P2RX7 Q99572 1/20 0.33
HSP90AA1 P07900 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32

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
SCHEMBL9373283 0.83 LMNA (0.36) SYKAURKBINCENPHRH4NAMPT
SCHEMBL31539875 0.76 LMNA (0.50) SYKAURKBINCENPPDE4ACYP1A2
SCHEMBL614573 0.76 LMNA (0.50) SYKAURKBINCENPPDE4ACYP1A2
SCHEMBL1272091 0.76 HSP90AA1 (0.40) SYKAURKBINCENPHRH4NAMPT
SCHEMBL242763 0.75
SCHEMBL22229909 0.74 CYP1A2 (0.35) CYP2D6CYP1A2CYP3A4
SCHEMBL4510964 0.73 CA2 (0.43) CYP2D6CYP1A2CYP3A4CA1CA2
SCHEMBL615172 0.73 SYK (0.35) SYKNAMPTGABRA1GABRG2GABRB3
SCHEMBL31227383 0.72 CYP1A2 (0.34) CYP2D6CYP1A2CYP3A4
SCHEMBL1347059 0.72 NUDT1 (0.39) HRH4CYP2D6CYP1A2CYP3A4CA12

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
CN-114989164-A Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2022-09-02 CN disclosed
EP-3596052-B1 CHEMICAL COMPOUNDS NODTHERA LTD (GB) 2022-07-20 EP disclosed
US-11345669-B2 Urea derivatives and methods of use thereof NodThera Limited (GB) 2022-05-31 US disclosed
US-11345669-B2 Urea derivatives and methods of use thereof NodThera Limited (GB) 2022-05-31 US disclosed
CN-110062761-B Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2022-05-13 CN disclosed
US-20200131141-A1 CHEMICAL COMPOUNDS NodThera Limited (GB) 2020-04-30 US disclosed
US-20200131141-A1 CHEMICAL COMPOUNDS NodThera Limited (GB) 2020-04-30 US disclosed
WO-2018167468-A1 CHEMICAL COMPOUNDS NodThera Limited (GB) 2018-09-20 WO disclosed
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US disclosed
EP-1874758-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111516-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 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 (3 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-20200131141-A1 CHEMICAL COMPOUNDS IL1B, CASP1, IL1A SYK 308/4885AURKB 1104/4885INCENP 3356/4885
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 SYK 3307/4885AURKB 2501/4885INCENP 4376/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 SYK 1360/4885AURKB 1515/4885INCENP 1028/4885

“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.