SCHEMBL12046654

SCHEMBL12046654

COc1cc2c(cc1OC(C)C)-c1c(c(C(=O)O)nn1-c1ccccc1Br)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3R2 O00459 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ PIK3R5 Q8WYR1 2/20 0.36
▸ PIK3R3 Q92569 2/20 0.36
▸ PDE10A Q9Y233 4/20 0.36
▸ PDE7A Q13946 2/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL12060226 0.90 KDM4E (0.39) KMT2AALDH1A1CCNA2CDK2CCNA1
SCHEMBL12046655 0.89 SLC5A1 (0.43) ALDH1A1CCNA2CDK2CCNA1KDM4E
SCHEMBL1199285 0.87 PDE10A (0.41) KMT2APIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL15850625 0.82 CCNA2 (0.46) ALDH1A1CCNA2CDK2CCNA1ACHE
SCHEMBL15850652 0.82 CCNA2 (0.45) KMT2AALDH1A1CCNA2CDK2CCNA1
SCHEMBL12046637 0.81 CCNA2 (0.46) ALDH1A1CCNA2CDK2CCNA1KDM4E
SCHEMBL12046660 0.81 CNR1 (0.40) KMT2AALDH1A1CCNA2CDK2CCNA1
SCHEMBL12046636 0.80 CCNA2 (0.40) CCNA2CDK2CCNA1PDE10APDE7A
SCHEMBL12060227 0.80 MAPT (0.44) ALDH1A1CCNA2CDK2CCNA1CA2
SCHEMBL1199331 0.79 PDE10A (0.42) KMT2AALDH1A1CCNA2CDK2CCNA1

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 KMT2A 2539/4885ALDH1A1 54/4885CCNA2 4115/4885

“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