SCHEMBL12046639

SCHEMBL12046639

COc1cc2c(cc1OC(C)C)-c1c(c(C(=O)N3CCCN(C(=O)C4CCC4)CC3)nn1-c1ccc(F)cc1)CC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ IKBKB O14920 12/20 0.37
▸ PIK3CD O00329 2/20 0.37
▸ PIK3R2 O00459 2/20 0.37
▸ PIK3CA P42336 2/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ PIK3R5 Q8WYR1 2/20 0.37
▸ PIK3R3 Q92569 2/20 0.37
▸ CHUK O15111 1/20 0.36
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35

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
SCHEMBL1199419 0.95 UGCG (0.41) UGCGMEN1USP2ALDH1A1HPGD
SCHEMBL12046638 0.91 ALDH1A1 (0.40) UGCGMEN1USP2ALDH1A1HPGD
SCHEMBL1199589 0.88 UGCG (0.36) UGCGMEN1ALDH1A1HPGDKMT2A
SCHEMBL12046623 0.85 PIK3CD (0.43) UGCGMEN1USP2ALDH1A1HPGD
SCHEMBL12046677 0.82 UGCG (0.39) UGCGMEN1ALDH1A1HPGDKMT2A
SCHEMBL12046637 0.82 CCNA2 (0.46) ALDH1A1HPGDIKBKBCHUKCCNA2
SCHEMBL12046640 0.78 ALDH1A1 (0.52) MEN1ALDH1A1HPGDKMT2ANPSR1
SCHEMBL12046621 0.75 CCNA2 (0.51) ALDH1A1HPGDIKBKBCHUKCCNA2
SCHEMBL15850625 0.74 CCNA2 (0.46) ALDH1A1IKBKBCCNA2CDK2CCNA1
SCHEMBL16377940 0.74 MEN1 (0.35) UGCGMEN1ALDH1A1KMT2APIK3CD

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 UGCG 2219/4885MEN1 1702/4885USP2 4721/4885

“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