SCHEMBL8289

SCHEMBL8289

O=C(O)N1CSc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 7/20 0.59
NOTUM Q6P988 2/20 0.44
HSD17B3 P37058 1/20 0.40
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 2/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL6667355 0.84 RYR2 (0.54) RYR2NOTUMHSD17B3KCNH2HRH3
SCHEMBL2533362 0.76 NOTUM (0.64) NOTUMKCNH2HRH3HSP90AA1HSP90AB1
SCHEMBL29758685 0.76 NOTUM (0.64) NOTUMKCNH2HRH3HSP90AA1HSP90AB1
SCHEMBL6867029 0.75 RYR2 (1.00) RYR2NOTUMKCNH2
SCHEMBL3081414 0.72 RYR2 (0.43) RYR2NOTUMHSD17B3KMT2A
SCHEMBL6866477 0.71 RYR2 (0.72) RYR2NOTUMKCNH2
SCHEMBL9635059 0.71 RYR2 (0.72) RYR2NOTUMKCNH2
SCHEMBL7560987 0.71 RYR2 (0.72) RYR2NOTUMHSD17B3KCNH2
SCHEMBL30513187 0.70 NPC1 (0.44) RYR2MEN1MAPTKMT2ANPC1
SCHEMBL13622149 0.70 RYR2 (0.71) RYR2KCNH2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
CN-102695710-B Tricyclic pyrazole sulfonamide derivatives MERCK SERONO S.A. (CH) 2015-08-19 CN disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
CN-102695710-A Tricyclic pyrazol amine derivatives MERCK SERONO SA 2012-09-26 CN disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
EP-2499146-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES Merck Serono S.A. (CH) 2012-09-19 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-4529725-A 1-Pyridine substituted quino-benzothiazine ABBOTT LABORATORIES (US) 1985-07-16 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA RYR2 4407/4885NOTUM 3606/4885HSD17B3 1424/4885

“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.