SCHEMBL2245229

SCHEMBL2245229

Cc1nn(C(=O)OC(C)(C)C)c2cc(OCCN(Cc3ccccc3)C[C@H](O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.38
BCL2 P10415 8/20 0.37
ATM Q13315 1/20 0.36
BCL2L1 Q07817 3/20 0.36

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
SCHEMBL2245225 1.00 MCL1 (0.38) MCL1BCL2ATMBCL2L1
SCHEMBL2305486 0.94 MCL1 (0.38) MCL1BCL2ATMBCL2L1
SCHEMBL2305489 0.94 MCL1 (0.38) MCL1BCL2ATMBCL2L1
SCHEMBL2239879 0.92 MCL1 (0.37) MCL1BCL2ATMBCL2L1
SCHEMBL11897466 0.92 MCL1 (0.37) MCL1BCL2ATMBCL2L1
SCHEMBL11897468 0.92 MCL1 (0.37) MCL1BCL2ATMBCL2L1
SCHEMBL2239875 0.92 MCL1 (0.37) MCL1BCL2ATMBCL2L1
SCHEMBL2240516 0.92 NR1H3 (0.33) MCL1BCL2
SCHEMBL176902 0.92 NR1H3 (0.33) MCL1BCL2
SCHEMBL176906 0.92 ATM (0.39) BCL2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
WO-2011040510-A1 INDAZOLE ANALOGUE 旭化成ファーマ株式会社 (JP) 2011-04-07 WO disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 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 (2 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 MCL1 3502/4885BCL2 3939/4885ATM 1559/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A MCL1 3989/4885BCL2 4432/4885ATM 2017/4885

“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.