SCHEMBL1198377

SCHEMBL1198377

COc1cc2c(cc1OC(C)C)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cccc(F)c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ PDE7A Q13946 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ IKBKB O14920 10/20 0.39
▸ KMT2A Q03164 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R2 O00459 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PIK3R5 Q8WYR1 1/20 0.34
▸ PIK3R3 Q92569 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ MDM2 Q00987 2/20 0.34
▸ RAD52 P43351 1/20 0.33

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 0.92 PDE7A (0.41) CCNA2CDK2CCNA1PDE7APDE3A
SCHEMBL12874898 0.91 CCNA2 (0.41) CCNA2CDK2CCNA1PDE7APDE3A
SCHEMBL12046652 0.91 PDE7A (0.41) CCNA2CDK2CCNA1PDE7APDE3A
SCHEMBL1199255 0.89 PDE7A (0.40) CCNA2CDK2CCNA1PDE7APDE3A
SCHEMBL1199721 0.88 PDE7A (0.39) PDE7APDE3APDE10AKMT2APIK3CD
SCHEMBL1199426 0.88 PDE7A (0.39) PDE7APDE3APDE10AKMT2A
SCHEMBL1199686 0.87 PDE10A (0.42) CCNA2CDK2CCNA1PDE7APDE3A
SCHEMBL1199219 0.87 PDE7A (0.42) CCNA2CDK2CCNA1PDE7APDE3A
SCHEMBL1199362 0.87 PDE7A (0.42) CCNA2CDK2CCNA1PDE7APDE3A
SCHEMBL1198868 0.86 PDE7A (0.38) CCNA2CDK2CCNA1PDE7APDE3A

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 CCNA2 4115/4885CDK2 2142/4885CCNA1 3017/4885

“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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