SCHEMBL12046678

SCHEMBL12046678

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.45
▸ PDE7A Q13946 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ RAD52 P43351 2/20 0.36
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CCNA2 P20248 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ CCNA1 P78396 4/20 0.33
▸ F10 P00742 2/20 0.33
▸ IKBKB O14920 2/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ KCNK3 O14649 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12046632 0.94 PDE7A (0.43) PDE10APDE7APDE3ARAD52HCRTR1
SCHEMBL27119215 0.87 PDE7A (0.38) PDE10APDE7APDE3AHCRTR1HCRTR2
SCHEMBL22626454 0.87 PDE7A (0.37) PDE10APDE7APDE3ARAD52
SCHEMBL12046680 0.86 CCNA2 (0.45) PDE10ARAD52CA12CA2CA9
SCHEMBL1198440 0.85 PDE7A (0.44) PDE10APDE7APDE3ARAD52CCNA2
SCHEMBL27119230 0.83 PDE7A (0.36) PDE10APDE7APDE3ACA12CA2
SCHEMBL12046682 0.81 CCNA2 (0.49) RAD52CA2CCNA2CDK2CCNA1
SCHEMBL1199034 0.81 PDE10A (0.34) PDE10APDE7APDE3A
SCHEMBL1199219 0.81 PDE7A (0.42) PDE10APDE7APDE3ARAD52CCNA2
SCHEMBL1199362 0.81 PDE7A (0.42) PDE10APDE7APDE3ARAD52CA12

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 PDE10A 2445/4885PDE7A 2158/4885PDE3A 931/4885

“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