SCHEMBL1198810

SCHEMBL1198810

COc1cc2c(cc1OC(C)C)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccccc1F)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ KCNN4 O15554 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R2 O00459 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PIK3R5 Q8WYR1 1/20 0.33
▸ PIK3R3 Q92569 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ SCN9A Q15858 1/20 0.32

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
SCHEMBL1199331 0.93 PDE10A (0.42) PDE7APDE3APDE10APIK3CDPIK3R2
SCHEMBL1160322 0.91 PDE10A (0.41) PDE7APDE3APDE10APIK3CDPIK3R2
SCHEMBL1199285 0.90 PDE10A (0.41) PDE7APDE3APDE10ACNR2PIK3CD
SCHEMBL1198852 0.88 PDE7A (0.40) PDE7APDE3APDE10APIK3CDPIK3R2
SCHEMBL1200530 0.88 PDE7A (0.40) PDE7APDE3APDE10APIK3CDPIK3R2
SCHEMBL1198377 0.86 CCNA2 (0.41) PDE7APDE3APDE10ACNR2PIK3CD
SCHEMBL1198506 0.85 PDE7A (0.41) PDE7APDE3APDE10ANPC1PIK3CD
SCHEMBL1199219 0.84 PDE7A (0.42) PDE7APDE3APDE10A
SCHEMBL1199362 0.84 PDE7A (0.42) PDE7APDE3APDE10ACA12CA2
SCHEMBL1199601 0.84 PDE7A (0.43) PDE7APDE3APDE10ACA12CA2

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

“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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