SCHEMBL12046636

SCHEMBL12046636

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CCNA1 P78396 3/20 0.40
▸ ACHE P22303 1/20 0.35
▸ RAD52 P43351 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PDE10A Q9Y233 4/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ HCRTR1 O43613 2/20 0.32
▸ BCL2 P10415 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ MCL1 Q07820 1/20 0.32

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
SCHEMBL12046680 0.93 CCNA2 (0.45) CCNA2CDK2CCNA1RAD52CA12
SCHEMBL12046634 0.89 CCNA2 (0.44) CCNA2CDK2CCNA1RAD52CA2
SCHEMBL12046632 0.87 PDE7A (0.43) CCNA2CDK2CCNA1ACHERAD52
SCHEMBL27122717 0.87 CCNA2 (0.43) CCNA2CDK2CCNA1RAD52HTR2A
SCHEMBL30759617 0.87 CCNA2 (0.43) CCNA2CDK2CCNA1RAD52HTR2A
SCHEMBL15850625 0.86 CCNA2 (0.46) CCNA2CDK2CCNA1ACHERAD52
SCHEMBL12046637 0.85 CCNA2 (0.46) CCNA2CDK2CCNA1RAD52IKBKB
SCHEMBL16377700 0.85 CCNA2 (0.37) CCNA2CDK2CCNA1ACHEHTR1A
SCHEMBL15850652 0.84 CCNA2 (0.45) CCNA2CDK2CCNA1ACHERAD52
SCHEMBL1199589 0.82 UGCG (0.36) CCNA2CDK2CCNA1PDE10APDE7A

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
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
WO-2011012674-A1 DIHYDROBENZOINDAZOLES N.V. ORGANON (NL) 2011-02-03 — — 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-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.

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