SCHEMBL12046658

SCHEMBL12046658

CCOC(=O)c1nn(-c2ccccc2Cl)c2c1CCc1cc(OC)c(Br)cc1-2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.45
▸ CCNA2 P20248 3/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ CCNA1 P78396 3/20 0.43
▸ PDE4A P27815 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KCNK3 O14649 2/20 0.41
▸ CDK4 P11802 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL12046660 0.88 CNR1 (0.40) CCNA2CDK2CCNA1ALDH1A1CNR1
SCHEMBL12046664 0.85 RAD52 (0.51) PDE4BCCNA2CDK2CCNA1PDE4A
SCHEMBL27119351 0.85 CCNA2 (0.47) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL30759600 0.85 CCNA2 (0.47) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL30759563 0.84 ALDH1A1 (0.44) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL27123712 0.84 ALDH1A1 (0.44) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL27122568 0.83 KCNK3 (0.44) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL30759702 0.83 KCNK3 (0.44) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL12046673 0.83 CCNA2 (0.47) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL12046655 0.83 SLC5A1 (0.43) CCNA2CDK2CCNA1ALDH1A1KDM4E

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 PDE4B 1550/4885CCNA2 4115/4885CDK2 2142/4885

“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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