SCHEMBL16703124

SCHEMBL16703124

O=C(O)c1cnc(-c2cccc(F)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.53
GSK3A P49840 2/20 0.53
GSK3B P49841 2/20 0.53
DYRK1A Q13627 2/20 0.53
AURKB Q96GD4 2/20 0.53
PLK4 O00444 1/20 0.53
AURKA O14965 1/20 0.53
DAPK3 O43293 1/20 0.53
CHEK2 O96017 1/20 0.53
CDK1 P06493 1/20 0.53
PIM1 P11309 1/20 0.53
CDK2 P24941 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
MAPK9 P45984 1/20 0.53
PLK1 P53350 1/20 0.53
CSNK2A1 P68400 1/20 0.53
PLK3 Q9H4B4 1/20 0.53
PIM2 Q9P1W9 1/20 0.53
HDAC1 Q13547 1/20 0.52

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
SCHEMBL31341127 0.87 GSK3B (0.54) CSNK1DGSK3AGSK3BDYRK1AAURKB
SCHEMBL27738181 0.84 RAB9A (0.58) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL12789113 0.84 HDAC1 (0.46) CSNK1DGSK3AGSK3BDYRK1AAURKB
SCHEMBL23794761 0.83 HSD17B1 (0.62) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL1222603 0.82 ALDH1A1 (0.72) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL23794611 0.82 NPC1 (0.52) CSNK2A1HDAC1HDAC6SMN1; SMN2NPC1
SCHEMBL23794763 0.82 HSD17B1 (0.57) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL3913378 0.82 NPC1 (0.76) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL23794583 0.81 NPC1 (0.49) GSK3AGSK3BAURKBHDAC1HDAC6
SCHEMBL23794594 0.81 ALDH1A1 (0.57) DYRK1AHDAC1HDAC6SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220009918-A1 Chemical Compounds GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-13 US disclosed
US-20220009918-A1 Chemical Compounds GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-13 US disclosed
EP-3877384-A1 CHEMICAL COMPOUNDS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-09-15 EP disclosed
CN-112969698-A Chemical compound 葛兰素史密斯克莱知识产权发展有限公司 2021-06-15 CN disclosed
WO-2015069011-A1 NOVEL COMPOUND, METHOD FOR PREPARATION THEREOF, AND ANTIFUNGAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-14 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-20220009918-A1 Chemical Compounds HPGDS, PTGS1, PTGER1 CSNK1D 1051/4885GSK3A 1936/4885GSK3B 1887/4885

“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.