SCHEMBL732364

SCHEMBL732364

COc1c[c]ccc1-c1cnn(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.41
TTK P33981 4/20 0.41
USP30 Q70CQ3 4/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
ERN1 O75460 1/20 0.40
BRD4 O60885 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PLAU P00749 1/20 0.39
AXL P30530 1/20 0.39
TYRO3 Q06418 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
MELK Q14680 1/20 0.38
ACVR2A P27037 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
FYN P06241 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
SCHEMBL732643 0.84 BRD4 (0.40) AAK1TTKBRD4LRRK2AXL
SCHEMBL16720696 0.78 SMARCA2 (0.45) ERN1BRD4LRRK2FYN
SCHEMBL7915834 0.78 BRD4 (0.50) AAK1TTKCCNA2CDK2ERN1
SCHEMBL732421 0.78 PLAU (0.45) AAK1TTKCCNA2CDK2ERN1
SCHEMBL2039605 0.74 FYN (0.40) FYN
SCHEMBL6541679 0.74 CA1 (0.38)
SCHEMBL19998607 0.74 AAK1 (0.50) AAK1TTKUSP30CCNA2CDK2
SCHEMBL29877325 0.73 AAK1 (0.52) AAK1TTKUSP30CCNA2CDK2
SCHEMBL512461 0.73 AAK1 (0.52) AAK1TTKUSP30CCNA2CDK2
SCHEMBL3722110 0.72 ROCK2 (0.40) AAK1

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
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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 (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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 AAK1 1019/4885TTK 2332/4885USP30 3308/4885

“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.