SCHEMBL12046680

SCHEMBL12046680

COc1cc2c(cc1OC)-c1c(c(C(=O)O)nn1-c1ccsc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 5/20 0.45
▸ CDK2 P24941 5/20 0.45
▸ CCNA1 P78396 5/20 0.45
▸ RAD52 P43351 2/20 0.37
▸ PDE10A Q9Y233 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ KCNK3 O14649 2/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ PIK3CD O00329 1/20 0.34

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
SCHEMBL12046636 0.93 CCNA2 (0.40) CCNA2CDK2CCNA1RAD52PDE10A
SCHEMBL30759617 0.93 CCNA2 (0.43) CCNA2CDK2CCNA1RAD52PDE10A
SCHEMBL27122717 0.93 CCNA2 (0.43) CCNA2CDK2CCNA1RAD52PDE10A
SCHEMBL12046682 0.87 CCNA2 (0.49) CCNA2CDK2CCNA1RAD52KDM4E
SCHEMBL12046678 0.86 PDE10A (0.45) CCNA2CDK2CCNA1RAD52PDE10A
SCHEMBL27119151 0.85 CA12 (0.39) CCNA2CDK2CCNA1KDM4ECA12
SCHEMBL1160202 0.84 UGCG (0.40) CCNA2CDK2CCNA1PDE10AMEN1
SCHEMBL12046621 0.83 CCNA2 (0.51) CCNA2CDK2CCNA1RAD52KDM4E
SCHEMBL12046634 0.82 CCNA2 (0.44) CCNA2CDK2CCNA1RAD52KDM4E
SCHEMBL30759660 0.81 CCNA2 (0.47) CCNA2CDK2CCNA1RAD52KDM4E

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
EP-2459551-B1 DIHYDROBENZOINDAZOLES MERCK SHARP & DOHME (NL) 2014-07-02 — — EP disclosed
US-8071589-B2 Dihydrobenzoindazoles N. V. ORGANON (NL) 2011-12-06 — — US disclosed
US-8071589-B2 Dihydrobenzoindazoles N. V. ORGANON (NL) 2011-12-06 — — US disclosed
WO-2011012674-A1 DIHYDROBENZOINDAZOLES N.V. ORGANON (NL) 2011-02-03 — — WO disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — US disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — 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-20110028451-A1 Dihydrobenzoindazoles DHODH, BRDT, HSD17B11 CCNA2 4115/4885CDK2 2142/4885CCNA1 3017/4885

“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.

Send feedback