SCHEMBL12046673

SCHEMBL12046673

CCOC(=O)c1nn(-c2cccc(C)c2)c2c1CCc1cc(OC)c(Br)cc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.47
▸ CDK2 P24941 4/20 0.47
▸ CCNA1 P78396 4/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KCNK3 O14649 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CDK4 P11802 1/20 0.39

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
SCHEMBL12046670 0.89 CCNA2 (0.48) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL15850651 0.88 CCNA2 (0.45) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL27119351 0.86 CCNA2 (0.47) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL30759600 0.86 CCNA2 (0.47) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL12046675 0.85 CCNA2 (0.55) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL30759660 0.85 CCNA2 (0.47) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL27122715 0.85 CCNA2 (0.47) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL12046672 0.83 CCNA2 (0.43) CCNA2CDK2CCNA1POLB
SCHEMBL12046658 0.83 PDE4B (0.45) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL30759563 0.83 ALDH1A1 (0.44) CCNA2CDK2CCNA1ALDH1A1NPSR1

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
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

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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