SCHEMBL1198440

SCHEMBL1198440

COc1cc2c(cc1OC)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccc(F)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ IKBKB O14920 14/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ RAD52 P43351 1/20 0.40
▸ CHUK O15111 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ F10 P00742 1/20 0.37

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
SCHEMBL1199362 0.86 PDE7A (0.42) PDE7APDE3APDE10AIKBKBCCNA2
SCHEMBL1199219 0.86 PDE7A (0.42) PDE7APDE3APDE10AIKBKBCCNA2
SCHEMBL12046678 0.85 PDE10A (0.45) PDE7APDE3APDE10AIKBKBCCNA2
SCHEMBL1199741 0.85 RAD52 (0.45) PDE7APDE3APDE10AIKBKBCCNA2
SCHEMBL12046621 0.85 CCNA2 (0.51) IKBKBCCNA2CDK2CCNA1RAD52
SCHEMBL1198377 0.85 CCNA2 (0.41) PDE7APDE3APDE10AIKBKBCCNA2
SCHEMBL1199365 0.84 PDE7A (0.41) PDE7APDE3APDE10AIKBKBCCNA2
SCHEMBL1198506 0.81 PDE7A (0.41) PDE7APDE3APDE10ACCNA2CDK2
SCHEMBL12046624 0.81 ALDH1A1 (0.58) IKBKBCCNA2CDK2CCNA1RAD52
SCHEMBL1199331 0.81 PDE10A (0.42) PDE7APDE3APDE10ACCNA2CDK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459551-B1 DIHYDROBENZOINDAZOLES MERCK SHARP & DOHME (NL) 2014-07-02 — — EP disclosed
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-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
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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