SCHEMBL12046648

SCHEMBL12046648

CCOC(=O)c1nn(-c2cccs2)c2c1CCc1cc(OC)c(OC(C)C)cc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 2/20 0.48
▸ CCNA2 P20248 4/20 0.41
▸ CDK2 P24941 4/20 0.41
▸ CCNA1 P78396 4/20 0.41
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CDK4 P11802 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL12046634 0.85 CCNA2 (0.44) KCNK3CCNA2CDK2CCNA1MAPT
SCHEMBL12046645 0.85 KCNK3 (0.42) KCNK3CCNA2CDK2CCNA1MAPT
SCHEMBL12060227 0.85 MAPT (0.44) KCNK3CCNA2CDK2CCNA1MAPT
SCHEMBL15850622 0.84 CCNA2 (0.55) KCNK3CCNA2CDK2CCNA1MAPT
SCHEMBL15850651 0.84 CCNA2 (0.45) KCNK3CCNA2CDK2CCNA1MAPT
SCHEMBL1199601 0.84 PDE7A (0.43) KCNK3MAPTMAPK1KDM4ENPSR1
SCHEMBL12046655 0.83 SLC5A1 (0.43) KCNK3CCNA2CDK2CCNA1MAPT
SCHEMBL12046640 0.83 ALDH1A1 (0.52) KCNK3CCNA2CDK2CCNA1MAPT
SCHEMBL12046650 0.83 CCNA2 (0.46) KCNK3CCNA2CDK2CCNA1MAPT
SCHEMBL12046651 0.83 CCNA2 (0.44) KCNK3CCNA2CDK2CCNA1MAPT

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 KCNK3 555/4885CCNA2 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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