SCHEMBL2941581

SCHEMBL2941581

COc1ccc(-n2nc3nc(N(C)C)nc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ PIK3CA P42336 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CLK1 P49759 1/20 0.38

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
SCHEMBL2950113 0.78 HTT (0.44) MAPTL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL2941486 0.77 HTT (0.43) MAPTL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL13234316 0.74 TNKS (0.53) MAPTL3MBTL1RAB9ANPC1CYP1A2
SCHEMBL2208450 0.69 AKR1C3 (0.68) MAPTL3MBTL1RAB9ASMN1; SMN2KMT2A
SCHEMBL2943533 0.68 TNKS (0.49) MAPTL3MBTL1RAB9AKMT2AMEN1
SCHEMBL27804983 0.68 MAPT (0.46) MAPTL3MBTL1RAB9ANPC1KMT2A
SCHEMBL4349056 0.68 AKR1C3 (0.66) MAPTL3MBTL1RAB9ASMN1; SMN2KMT2A
SCHEMBL5580124 0.67 ALDH1A1 (0.40) MAPTL3MBTL1NOS1PIK3CAPDE10A
SCHEMBL6814627 0.67 HSD17B10 (0.50) MAPTNOS1KMT2AMEN1KDM4E
SCHEMBL6740893 0.66 MAPT (0.86) MAPTL3MBTL1PIK3CARAB9ASMN1; SMN2

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
US-7750556-B2 Triazole derivatives and use thereof in organic light-emitting diodes (OLEDs) BASF AKTIENGESELLSCHAFT (DE) 2010-07-06 — — US disclosed
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
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
US-20070188078-A1 Triazole derivatives and use thereof in organic light-emitting diodes (oleds) BASF AKTIENGESELLSCHAFT (DE) 2007-08-16 — — 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-20070188078-A1 Triazole derivatives and use thereof in organic light-emitting diodes (oleds) OCIAD1, OGFOD1, OXA1L MAPT 1691/4885L3MBTL1 1195/4885NOS1 1411/4885

“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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