SCHEMBL16756239

SCHEMBL16756239

Cc1nc2cc(Cl)c(-c3cnc(Cl)nc3)cc2n1Cc1ccccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.40
DCTPP1 Q9H773 2/20 0.39
GRIN1 Q05586 7/20 0.37
GRIN2B Q13224 7/20 0.37
P2RX7 Q99572 1/20 0.36
NPC1 O15118 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.35
MAPT P10636 1/20 0.35
TNF P01375 1/20 0.35
DHFR P00374 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL16756559 0.92 TNF (0.41) TLR7GRIN1GRIN2BNPC1GALR3
SCHEMBL15560797 0.87 GRIN1 (0.41) TLR7GRIN1GRIN2BNPC1GALR3
SCHEMBL16756418 0.83 AOC3 (0.39) TLR7DCTPP1GRIN1GRIN2BP2RX7
SCHEMBL16756359 0.82 DCTPP1 (0.43) TLR7DCTPP1P2RX7NPC1GALR3
SCHEMBL18918981 0.81 TLR7 (0.42) TLR7DCTPP1P2RX7NPC1GALR3
SCHEMBL16756311 0.79 TNF (0.46) TLR7TNF
SCHEMBL16756380 0.78 GALR3 (0.39) TLR7GRIN1GRIN2BNPC1GALR3
SCHEMBL16756444 0.77 TNF (0.41) TLR7GRIN1GRIN2BTNF
SCHEMBL16756583 0.77 TNF (0.40) TLR7GRIN1GRIN2BTNF
SCHEMBL16756580 0.76 TLR7 (0.44) TLR7GRIN1GRIN2BNPC1GALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 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 (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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA TLR7 3878/4885DCTPP1 2186/4885GRIN1 1207/4885

“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.