SCHEMBL732914

SCHEMBL732914

Cc1c(-c2ccccc2)c[c]cc1-c1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.37
AKT1 P31749 1/20 0.37
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CHEK1 O14757 2/20 0.31
METAP2 P50579 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
LMNA P02545 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL6928413 0.80 DCUN1D1 (0.33) AKT2AKT1LMNA
SCHEMBL5377310 0.80 DCUN1D1 (0.33) AKT2AKT1LMNA
SCHEMBL3397570 0.77 DCUN1D1 (0.47) AKT2AKT1METAP2LMNA
SCHEMBL29499607 0.77 DCUN1D1 (0.47) AKT2AKT1METAP2LMNA
Water SCHEMBL7382263 0.74 NR1H2 (0.42) L3MBTL1POLBLMNA
SCHEMBL2160591 0.74 METAP2 (0.41) AKT2AKT1METAP2L3MBTL1POLB
SCHEMBL29034386 0.74 DCUN1D1 (0.45) AKT2AKT1METAP2LMNA
SCHEMBL733019 0.73 MEN1 (0.39) L3MBTL1POLBLMNA
SCHEMBL731417 0.73 GP6 (0.37) POLB
SCHEMBL4950 0.72 NR1H2 (0.43) L3MBTL1POLBLMNA

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 AKT2 2383/4885AKT1 2238/4885JAK2 614/4885

“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.