SCHEMBL16014737

SCHEMBL16014737

COc1ccc(Cn2nc(S(C)(=O)=O)nc2Nc2cc(Cl)c(Br)c(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 9/20 0.41
P2RX7 Q99572 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
P2RX3 P56373 2/20 0.38
MCHR1 Q99705 1/20 0.38
SDHB P21912 1/20 0.36
PTGS2 P35354 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL16014715 0.89 P2RX7 (0.42) NPBWR1P2RX7ALDH1A1MAPK1P2RX3
SCHEMBL16014642 0.84 NPBWR1 (0.42) NPBWR1P2RX7P2RX3MCHR1
SCHEMBL16023925 0.81 NPBWR1 (0.40) NPBWR1P2RX7P2RX3MCHR1
SCHEMBL16014584 0.78 CMA1 (0.42) NPBWR1ALDH1A1MAPK1MCHR1SDHB
SCHEMBL16014625 0.76 P2RX7 (0.48) NPBWR1P2RX7ALDH1A1MCHR1
SCHEMBL16014815 0.76 NPBWR1 (0.45) NPBWR1ALDH1A1MAPK1MCHR1SDHB
SCHEMBL16014593 0.75 P2RX7 (0.42) NPBWR1P2RX7P2RX3MCHR1
SCHEMBL16014856 0.74 P2RX7 (0.44) NPBWR1P2RX7P2RX3MCHR1AURKA
SCHEMBL16014805 0.71 P2RX7 (0.43) NPBWR1P2RX7P2RX3MCHR1
SCHEMBL16014359 0.71 P2RX7 (0.41) NPBWR1P2RX7P2RX3MCHR1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964635-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
EP-2964626-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135472-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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 (1 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-20160002180-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS NPBWR1 3843/4885P2RX7 1685/4885ALDH1A1 204/4885

“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.