SCHEMBL2943533

SCHEMBL2943533

COc1ccc(-n2nc3[nH]c(N4CCOCC4)nc(=O)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 4/20 0.49
▸ TNKS2 Q9H2K2 4/20 0.49
▸ DCTPP1 Q9H773 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 4/20 0.43
▸ CYP1A2 P05177 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ RECQL P46063 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
SCHEMBL2948806 0.90 TNKS (0.47) TNKSTNKS2DCTPP1MAPTRAB9A
SCHEMBL2950279 0.89 TNKS (0.47) TNKSTNKS2DCTPP1MAPTRAB9A
SCHEMBL13234316 0.83 TNKS (0.53) TNKSTNKS2DCTPP1MAPTL3MBTL1
SCHEMBL2950134 0.75 HTT (0.41) MAPTL3MBTL1RAB9AKMT2ACYP1A2
SCHEMBL13234312 0.73 TNKS (0.52) TNKSTNKS2DCTPP1MAPTRAB9A
SCHEMBL13234313 0.72 ADORA1 (0.52) TNKSTNKS2DCTPP1RAB9AALDH1A1
SCHEMBL2208450 0.70 AKR1C3 (0.68) MAPTL3MBTL1RAB9AKMT2AUSP2
SCHEMBL4349056 0.69 AKR1C3 (0.66) MAPTL3MBTL1RAB9AKMT2AUSP2
SCHEMBL2941581 0.68 MAPT (0.44) MAPTL3MBTL1RAB9AKMT2ACYP1A2
SCHEMBL6740893 0.67 MAPT (0.86) MAPTL3MBTL1RAB9AKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750556-B2 Triazole derivatives and use thereof in organic light-emitting diodes (OLEDs) BASF AKTIENGESELLSCHAFT (DE) 2010-07-06 — — US disclosed
EP-1740673-B1 TRIAZOLE DERIVATIVES AND USE THEROF IN ORGANIC LIGHT-EMITTING DIODES(OLEDS) BASF SE (DE) 2009-12-02 — — EP disclosed
US-20070188078-A1 Triazole derivatives and use thereof in organic light-emitting diodes (oleds) BASF AKTIENGESELLSCHAFT (DE) 2007-08-16 — — US disclosed
EP-1740673-A1 TRIAZOLE DERIVATIVES AND USE THEROF IN ORGANIC LIGHT-EMITTING DIODES(OLEDS) BASF AKTIENGESELLSCHAFT (DE) 2007-01-10 — — EP disclosed
WO-2005093007-A1 TRIAZOLE DERIVATIVES AND USE THEREOF IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF AKTIENGESELLSCHAFT (DE) 2005-10-06 — — WO 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-20070188078-A1 Triazole derivatives and use thereof in organic light-emitting diodes (oleds) OCIAD1, OGFOD1, OXA1L TNKS 1190/4885TNKS2 1731/4885DCTPP1 2709/4885

“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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