SCHEMBL1381178

SCHEMBL1381178

O=C1[N]c2cccc3cccc1c23

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.48
▸ MAPT P10636 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ PARP1 P09874 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ CES2 O00748 1/20 0.48
▸ BCHE P06276 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ TYMS P04818 4/20 0.45
▸ HPGD P15428 2/20 0.44
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ PABPC1 P11940 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPK1 P28482 2/20 0.42

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
SCHEMBL1266199 0.84 ALDH1A1 (0.61) KDM4EMAPTHTTPARP1ALDH1A1
SCHEMBL7921203 0.74 — —
SCHEMBL10702898 0.71 NPSR1 (0.60) MAPTPARP1ALDH1A1CES2BCHE
SCHEMBL20520366 0.71 KDM4E (0.46) KDM4EMAPTHTTRECQLPARP1
SCHEMBL9672660 0.70 MEN1 (0.43) KDM4EMAPTHTTRECQLALDH1A1
SCHEMBL8891852 0.67 BRD1 (0.42) KDM4EMAPTRECQLPARP1ALDH1A1
SCHEMBL2269376 0.67 ALDH1A1 (0.50) KDM4EMAPTHTTPARP1ALDH1A1
Acenaphthoquinone SCHEMBL2156555 0.66 ALDH1A1 (1.00) KDM4EMAPTHTTRECQLPARP1
Acenaphthoquinone SCHEMBL29586645 0.66 ALDH1A1 (1.00) KDM4EMAPTHTTRECQLPARP1
SCHEMBL18803237 0.66 ALDH1A1 (0.89) KDM4EMAPTHTTPARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4728965-B2 — — 2011-07-20 — — JP claimed
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 — — US claimed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 — — US claimed
JP-2007520463-A — — 2007-07-26 — — JP claimed
EP-1713814-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2006-10-25 — — EP claimed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 — — US claimed
WO-2005068473-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2005-07-28 — — WO claimed
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 — — US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 — — US disclosed
EP-1713814-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2006-10-25 — — EP disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 — — US disclosed
WO-2005068473-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2005-07-28 — — 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 (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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 KDM4E 1403/4885MAPT 2003/4885HTT 4039/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 KDM4E 1403/4885MAPT 2003/4885HTT 4039/4885

“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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