SCHEMBL20096785

SCHEMBL20096785

COC(=O)c1cccc(Nc2nc3cncnc3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.51
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
SRC P12931 1/20 0.49
MAPK1 P28482 3/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 6/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
AKR1C3 P42330 1/20 0.47
PDE5A O76074 1/20 0.46
RAB9A P51151 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
ABCB1 P08183 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.42

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
SCHEMBL20096783 0.85 HDAC11 (0.60) MAPTALDH1A1AKR1C3HDAC11KMT2A
SCHEMBL20096879 0.79 AKR1C3 (0.75) MAPK1TP53LMNATSHRMAPT
SCHEMBL20096670 0.78 ROCK1 (0.54) ROCK1ABL1BCRSRCMAPK1
SCHEMBL3014786 0.77 SYK (0.47) TP53TSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL3026523 0.76 MEN1 (0.45) MAPK1LMNATSHRMAPTAKR1C3
Hydrochloric Acid SCHEMBL7659957 0.76 EGFR (0.44) ROCK1ABL1BCRSRCMAPT
SCHEMBL3016796 0.75 ROCK1 (0.48) ROCK1SRCMAPK1
SCHEMBL20096833 0.73 HDAC11 (0.63) ROCK1MAPK1TP53LMNATSHR
SCHEMBL20096461 0.71 MAOB (0.61) ROCK1MAPK1TP53LMNATSHR
SCHEMBL3786660 0.70 KMT2A (0.56) MAPK1TP53LMNATSHRMAPT

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 5 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-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 ROCK1 1233/4885ABL1 2010/4885BCR 2428/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 ROCK1 1233/4885ABL1 2010/4885BCR 2428/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 ROCK1 1233/4885ABL1 2010/4885BCR 2428/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 ROCK1 1233/4885ABL1 2010/4885BCR 2428/4885

“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.