SCHEMBL1198868

SCHEMBL1198868

C=CCc1cccc(-n2nc(C(=O)N(C)C(C)(C)C)c3c2-c2cc(OC(C)C)c(OC)cc2CC3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 2/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ PTGS1 P23219 1/20 0.33
▸ RAD52 P43351 1/20 0.32
▸ PIK3CD O00329 2/20 0.31
▸ PIK3R2 O00459 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CB P42338 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ PIK3R5 Q8WYR1 2/20 0.31
▸ PIK3R3 Q92569 2/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 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
SCHEMBL1198506 0.88 PDE7A (0.41) PDE7APDE10APDE3ARAD52PIK3CD
SCHEMBL12874898 0.87 CCNA2 (0.41) PDE7APDE10APDE3ARAD52PIK3CD
SCHEMBL1199255 0.87 PDE7A (0.40) PDE7APDE10APDE3ARAD52PIK3CD
SCHEMBL12046652 0.86 PDE7A (0.41) PDE7APDE10APDE3ARAD52PIK3CD
SCHEMBL1198377 0.86 CCNA2 (0.41) PDE7APDE10APDE3ARAD52PIK3CD
SCHEMBL1199721 0.84 PDE7A (0.39) PDE7APDE10APDE3ARAD52PIK3CD
SCHEMBL1199365 0.84 PDE7A (0.41) PDE7APDE10APDE3ARAD52CCNA2
SCHEMBL1199426 0.84 PDE7A (0.39) PDE7APDE10APDE3AMEN1KMT2A
SCHEMBL1199686 0.83 PDE10A (0.42) PDE7APDE10APDE3ARAD52PIK3CD
SCHEMBL1199219 0.83 PDE7A (0.42) PDE7APDE10APDE3ARAD52CCNA2

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 2158/4885PDE10A 2445/4885PDE3A 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