SCHEMBL16756246

SCHEMBL16756246

COCc1nc2ccc(-c3ccc(N4CCNC(=O)C4)nc3)cc2n1Cc1ccccc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.36
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TNF P01375 1/20 0.35
PRMT5 O14744 1/20 0.35
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
SOS1 Q07889 2/20 0.34
ALK Q9UM73 2/20 0.34
METAP2 P50579 1/20 0.33
AOC3 Q16853 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KRAS P01116 1/20 0.32
EED O75530 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
SCHEMBL16756443 0.94 TSHR (0.35) GAKTSHRHTTMEN1ALDH1A1
SCHEMBL16756368 0.85 TSHR (0.37) GAKTSHRHTTMEN1ALDH1A1
SCHEMBL16756300 0.85 TSHR (0.38) TSHRHTTMEN1ALDH1A1KMT2A
SCHEMBL15560961 0.84 TSHR (0.37) TSHRHTTMEN1ALDH1A1KMT2A
SCHEMBL16756370 0.84 TSHR (0.37) TSHRHTTMEN1ALDH1A1KMT2A
SCHEMBL16756274 0.81 AOC3 (0.43) GAKTNFGRIN1GRIN2BAOC3
SCHEMBL16756529 0.81 SOS1 (0.38) TNFPRMT5SOS1ALKMETAP2
SCHEMBL16756329 0.80 TSHR (0.43) TSHRHTTMEN1ALDH1A1KMT2A
SCHEMBL18150004 0.79 METAP2 (0.37) GAKPDE10ATNFPRMT5GRIN1
SCHEMBL16756387 0.79 HTR6 (0.42) GRIN1GRIN2BMETAP2

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 GAK 1315/4885TSHR 1696/4885HTT 1177/4885

“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.