SCHEMBL1122444

SCHEMBL1122444

COc1ccc(Nc2cncc(Cl)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.65
MAPT P10636 5/20 0.57
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.57
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
SCN5A Q14524 3/20 0.52
SCN9A Q15858 3/20 0.52
KCNH2 Q12809 2/20 0.52
NPC1 O15118 3/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 3/20 0.51

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
SCHEMBL2885798 0.82 CDK2 (0.73) CDK2MAPTRAB9ASCN5ASCN9A
SCHEMBL30574121 0.80 MAPT (0.62) CDK2MAPTBRAFPDGFRBPDGFRA
SCHEMBL6661698 0.79 CDK2 (0.69) CDK2MAPTGAASMN1; SMN2POLB
SCHEMBL6302354 0.79 CDK2 (0.69) CDK2MAPTGAARAB9AALDH1A1
SCHEMBL1678613 0.79 CDK2 (1.00) CDK2MAPTRAB9AALDH1A1SCN5A
SCHEMBL2175734 0.78 MAPT (0.59) MAPTGAASMN1; SMN2POLBRAB9A
SCHEMBL6656588 0.76 BRAF (0.62) CDK2MAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL5416533 0.76 CLK4 (0.52) MAPTGAARAB9ANPC1KDM4E
SCHEMBL16739547 0.75 CDK2 (0.63) CDK2SCN5ASCN9AKCNH2BRAF
SCHEMBL3158061 0.75 CSF1R (0.47) CDK2ALDH1A1PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 US disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
EP-1831184-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS The Wellcome Trust Limited (GB) 2007-09-12 EP disclosed
WO-2006067466-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS THE WELLCOME TRUST LIMITED (GB) 2006-06-29 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-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds BRAF, RAF1, BCOR CDK2 57/4885MAPT 4774/4885GAA 4871/4885

“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.