SCHEMBL1640550

SCHEMBL1640550

Cn1cccc1C(=O)Nc1cccc(-c2nc(N)sc2-c2ccnc(Cl)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.46
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TGFBR1 P36897 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13121040 0.85 MAPT (0.49) BRAFHPGDALDH1A1CASP3SENP8
SCHEMBL1639294 0.82 BRAF (0.49) BRAFTGFBR1LMNATP53MAPK1
SCHEMBL1640608 0.80 BRAF (0.47) BRAFTGFBR1LMNAMAPK1SMN1; SMN2
SCHEMBL1641928 0.78 SLC2A1 (0.49) BRAFEGFRERBB2LCKKDR
SCHEMBL13105479 0.78 SLC2A1 (0.52) BRAFHPGDALDH1A1KDM4EMEN1
SCHEMBL3441818 0.77 PKMYT1 (0.55) BRAF
SCHEMBL12726495 0.77 ABL1 (0.50) BRAFHPGDALDH1A1TGFBR1POLB
SCHEMBL1640570 0.76 SLC2A1 (0.49) BRAFEGFRERBB2LCKKDR
SCHEMBL1641771 0.76 KDM4E (0.48) BRAFHPGDALDH1A1KDM4EMEN1
SCHEMBL3422428 0.75 MAPK14 (0.48) TP53NPSR1MAPTCNR1

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 BRAF 151/4885HPGD 2899/4885ALDH1A1 3014/4885

“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.