SCHEMBL519230

SCHEMBL519230

Cc1cc(N)ccc1N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
ALDH1A1 P00352 5/20 0.69
GAA P10253 4/20 0.69
MEN1 O00255 3/20 0.69
THRB P10828 3/20 0.69
KMT2A Q03164 3/20 0.69
NR4A1 P22736 1/20 0.69
PTK2B Q14289 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.67
RAD52 P43351 1/20 0.59
GFER P55789 1/20 0.59
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 1/20 0.50
BRAF P15056 2/20 0.49
LGMN Q99538 1/20 0.49
AKR1C3 P42330 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NSD2 O96028 1/20 0.48
RAF1 P04049 2/20 0.47

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
SCHEMBL15358737 0.87 MAPT (0.81) MAPTALDH1A1GAAMEN1THRB
SCHEMBL923404 0.86 MAPT (0.62) MAPTALDH1A1GAAMEN1THRB
SCHEMBL6052282 0.85 MAPT (0.55) MAPTALDH1A1GAAMEN1THRB
SCHEMBL6156455 0.83 ALDH1A1 (0.96) MAPTALDH1A1GAAMEN1THRB
SCHEMBL7031588 0.83 ALDH1A1 (0.89) MAPTALDH1A1GAAMEN1THRB
SCHEMBL18951242 0.82 MAPT (0.69) MAPTALDH1A1GAAMEN1THRB
SCHEMBL241271 0.81 ALDH1A1 (0.93) MAPTALDH1A1GAAMEN1THRB
SCHEMBL12385911 0.81 ALDH1A1 (0.69) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL6272228 0.81 ALDH1A1 (0.86) MAPTALDH1A1GAAMEN1THRB
SCHEMBL31491393 0.81 MAPT (0.71) MAPTALDH1A1GAAMEN1THRB

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 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 WO claimed
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 US disclosed
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 US disclosed
CN-117597346-A NEK7 inhibitors 哈利亚治疗公司 2024-02-23 CN disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 EP disclosed
CN-112759549-B 3-substituted amino-4- ((substituted pyridinyl) amino) cyclobut-3-ene-1, 2-dione compounds 中国医学科学院药物研究所 2023-07-28 CN disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed
EP-1748991-A1 MORPHOLINYLANILINOQUINAZO- LINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2007-02-07 EP disclosed
WO-2005105761-A1 MORPHOLINYLANILINOQUINAZO- LINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-11-10 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 (7 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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT MAPT 3611/4885ALDH1A1 188/4885GAA 224/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 MAPT 4534/4885ALDH1A1 1475/4885GAA 2972/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4520/4885ALDH1A1 2214/4885GAA 2406/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 MAPT 436/4885ALDH1A1 4542/4885GAA 3968/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 MAPT 1986/4885ALDH1A1 303/4885GAA 163/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4520/4885ALDH1A1 2214/4885GAA 2406/4885
US-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 MAPT 1274/4885ALDH1A1 4225/4885GAA 3879/4885

“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.