SCHEMBL12046623

SCHEMBL12046623

COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCCN(C(C)=O)CC3)nn1-c1ccc(F)cc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.43
▸ PIK3R2 O00459 6/20 0.43
▸ PIK3CA P42336 6/20 0.43
▸ PIK3CB P42338 6/20 0.43
▸ PIK3CG P48736 6/20 0.43
▸ PIK3R5 Q8WYR1 6/20 0.43
▸ PIK3R3 Q92569 6/20 0.43
▸ UGCG Q16739 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL12046638 0.94 ALDH1A1 (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL1199419 0.90 UGCG (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL1160202 0.86 UGCG (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12046639 0.85 UGCG (0.38) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12046621 0.83 CCNA2 (0.51) ALDH1A1HPGDTP53CCNA2CDK2
SCHEMBL12046624 0.79 ALDH1A1 (0.58) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL12046637 0.78 CCNA2 (0.46) ALDH1A1HPGDTP53CCNA2CDK2
SCHEMBL1198440 0.78 PDE7A (0.44) ALDH1A1HPGDTP53CCNA2CDK2
SCHEMBL12046677 0.76 UGCG (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2776761 0.75 PDE10A (0.43) MEN1KMT2ATP53

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
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

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 PIK3CD 2692/4885PIK3R2 2464/4885PIK3CA 3381/4885

“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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