SCHEMBL16624316

SCHEMBL16624316

Cc1cc(C#N)ccc1Cc1c(C)nc(N)nc1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.40
DHFR P00374 1/20 0.37
EGLN2 Q96KS0 2/20 0.36
MBOAT4 Q96T53 2/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KLKB1 P03952 4/20 0.34
TLR7 Q9NYK1 1/20 0.34
IKBKB O14920 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MPO P05164 1/20 0.33

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
SCHEMBL16624362 0.91 HSP90AB1 (0.41) HSP90AB1DHFREGLN2MBOAT4KDM5A
SCHEMBL6120839 0.85 TLR7 (0.44) TLR7
SCHEMBL20212196 0.83 TLR7 (0.43) DHFRTLR7
SCHEMBL30037440 0.83 TLR7 (0.43) DHFRTLR7
SCHEMBL18052639 0.82 TLR7 (0.37) TLR7
SCHEMBL15305572 0.80 CYP1A2 (0.36) DHFRKLKB1TLR7MPO
SCHEMBL16624323 0.79 TLR7 (0.39) DHFRTLR7
SCHEMBL16624326 0.76 KMT2A (0.44) DHFRTLR7
SCHEMBL16624328 0.76 NPSR1 (0.37) DHFRFFAR1TLR7
SCHEMBL16624314 0.75 TLR7 (0.41) DHFRTLR7MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376398-B2 Carboxylic acid compounds SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2016-06-28 US disclosed
US-20150099770-A1 CARBOXYLIC ACID COMPOUNDS Sumitomo Pharma Co., Ltd. (JP) 2015-04-09 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-20150099770-A1 CARBOXYLIC ACID COMPOUNDS C9, SUCNR1, C3AR1 HSP90AB1 4630/4885DHFR 1267/4885EGLN2 655/4885

“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.