SCHEMBL20096570

SCHEMBL20096570

COC(=O)c1cccc(Nc2nc3cc(C#N)c(C(F)(F)F)cc3n2C)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC11 Q96DB2 1/20 0.53
▸ KIF11 P52732 3/20 0.45
▸ BRAF P15056 5/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ SCN9A Q15858 2/20 0.40
▸ ROCK1 Q13464 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL29754097 1.00 HDAC11 (0.53) HDAC11KIF11BRAFLMNATP53
SCHEMBL20096421 0.96 HDAC11 (0.51) HDAC11KIF11BRAFLMNATP53
SCHEMBL20096656 0.90 KIF11 (0.45) HDAC11KIF11LMNATP53TSHR
SCHEMBL20096579 0.89 HDAC11 (0.67) HDAC11BRAFRAF1HDAC6SCN9A
SCHEMBL29624663 0.89 HDAC11 (0.67) HDAC11BRAFRAF1HDAC6SCN9A
SCHEMBL20096655 0.89 KIF11 (0.46) HDAC11KIF11TSHRMAPTSCN9A
SCHEMBL20132892 0.87 HDAC11 (0.52) HDAC11KIF11BRAFRAF1HDAC6
SCHEMBL20096557 0.86 KIF11 (0.45) HDAC11KIF11LMNATP53TSHR
SCHEMBL20096463 0.85 HDAC11 (0.57) HDAC11KIF11BRAFLMNATP53
SCHEMBL20096648 0.85 LMNA (0.44) HDAC11BRAFLMNATP53TSHR

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
US-11345672-B2 Methods using HDAC11 inhibitors VALO HEALTH, INC. (US) 2022-05-31 — — US disclosed
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS Valo Health, LLC 2019-03-21 — — US disclosed
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS Valo Health, LLC 2019-03-21 — — US disclosed
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS VALO HEALTH, INC. 2019-03-21 — — US disclosed
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-05-10 — — US disclosed
WO-2018075959-A1 METHODS USING HDAC11 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2018-04-26 — — 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 (4 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-11345672-B2 Methods using HDAC11 inhibitors HDAC11, HDAC1, HDAC10 HDAC11 1/4885KIF11 269/4885BRAF 3407/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885KIF11 269/4885BRAF 3407/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885KIF11 269/4885BRAF 3407/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885KIF11 269/4885BRAF 3407/4885

“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.

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