SCHEMBL12726495

SCHEMBL12726495

Nc1nc(-c2cccc(NC(=O)C3CCCCC3)c2)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
PDGFRB P09619 1/20 0.50
BCR P11274 1/20 0.50
SRC P12931 1/20 0.50
PDGFRA P16234 1/20 0.50
MAPK14 Q16539 1/20 0.46
BRAF P15056 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAP4K4 O95819 1/20 0.44
JAK2 O60674 3/20 0.43
TYK2 P29597 2/20 0.43
TGFBR1 P36897 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAK O14976 1/20 0.41

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
SCHEMBL1641684 0.81 JAK2 (0.43) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL1641859 0.81 TGFBR1 (0.40) MAPK14BRAFSMN1; SMN2TGFBR1
SCHEMBL1641719 0.80 ABL1 (0.59) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL1639294 0.80 BRAF (0.49) ABL1SRCBRAFSMN1; SMN2MAP4K4
SCHEMBL30668832 0.79 JAK2 (0.61) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL29131118 0.79 JAK2 (0.61) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL12726485 0.79 ABL1 (0.53) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL13815930 0.79 ABL1 (0.53) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL12726496 0.79 ABL1 (0.49) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL1640608 0.78 BRAF (0.47) ABL1PDGFRBBCRPDGFRABRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 ABL1 77/4885PDGFRB 636/4885BCR 1332/4885

“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.