SCHEMBL16014642

SCHEMBL16014642

COc1ccc(Cn2nc(OC)nc2Nc2cc(Cl)c(Br)c(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.42
P2RX3 P56373 3/20 0.41
P2RX7 Q99572 3/20 0.39
MCHR1 Q99705 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
BUB1 O43683 1/20 0.36
CXCR2 P25025 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
SCHEMBL16014359 0.87 P2RX7 (0.41) NPBWR1P2RX3P2RX7MCHR1DCTPP1
SCHEMBL16014805 0.87 P2RX7 (0.43) NPBWR1P2RX3P2RX7MCHR1DCTPP1
SCHEMBL16023925 0.86 NPBWR1 (0.40) NPBWR1P2RX3P2RX7MCHR1DCTPP1
SCHEMBL16014737 0.84 NPBWR1 (0.41) NPBWR1P2RX3P2RX7MCHR1
SCHEMBL16014625 0.81 P2RX7 (0.48) NPBWR1P2RX7MCHR1
SCHEMBL16014593 0.79 P2RX7 (0.42) NPBWR1P2RX3P2RX7MCHR1DCTPP1
SCHEMBL16014856 0.76 P2RX7 (0.44) NPBWR1P2RX3P2RX7MCHR1DCTPP1
SCHEMBL16014473 0.75 PTGS1 (0.44) NPBWR1MCHR1DCTPP1
SCHEMBL16014705 0.74 P2RX7 (0.47) NPBWR1P2RX3P2RX7BUB1
SCHEMBL16014562 0.73 P2RX7 (0.41) NPBWR1P2RX3P2RX7MCHR1BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
WO-2014135472-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 3843/4885P2RX3 1860/4885P2RX7 1685/4885

“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.