SCHEMBL1640536

SCHEMBL1640536

O=C(Cc1ccnc(Cl)n1)c1cccc(NC(=O)c2c(F)cccc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
LMNA P02545 1/20 0.44
TYK2 P29597 6/20 0.44
JAK2 O60674 5/20 0.44
JAK1 P23458 2/20 0.44
HTT P42858 1/20 0.44
NOD2 Q9HC29 1/20 0.44
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 3/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL1640594 0.86 TYK2 (0.43) KCNQ3KCNQ2KCNQ5LMNATYK2
SCHEMBL1640321 0.86 MEN1 (0.40) KCNQ3KCNQ2KCNQ5LMNATYK2
SCHEMBL1640293 0.86 FADS1 (0.45) KCNQ3KCNQ2KCNQ5RAB9ASMN1; SMN2
SCHEMBL3422489 0.84 NPC1 (0.42) LMNARAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1641917 0.84 SMN1; SMN2 (0.48) KCNQ3KCNQ2KCNQ5LMNATYK2
SCHEMBL310379 0.83 MEN1 (0.41) KCNQ3KCNQ2KCNQ5RAB9ASMN1; SMN2
SCHEMBL9988807 0.81 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL309542 0.81 RAB9A (0.57) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL1640427 0.80 HDAC1 (0.45) LMNAHTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL12058600 0.78 RAB9A (0.41) LMNAHTTRAB9ASMN1; SMN2ALDH1A1

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 4 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
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 KCNQ3 2443/4885KCNQ2 2448/4885KCNQ5 2100/4885

“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.