SCHEMBL3769474

SCHEMBL3769474

[C]#Cc1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
FLT3 P36888 1/20 0.44
CYP2A6 P11509 1/20 0.44
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
DAO P14920 2/20 0.42
HPGD P15428 2/20 0.42
SRD5A2 P31213 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 1/20 0.42
DDO Q99489 1/20 0.42
CA2 P00918 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CHEK1 O14757 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 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
SCHEMBL29694493 0.82 AOC3 (0.52) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL9620368 0.82 AOC3 (0.52) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL723282 0.78 AOC3 (0.48) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL56372 0.78 CHEK1 (0.48) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL29763767 0.78 AOC3 (0.48) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL597869 0.78 AOC3 (0.48) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL2849094 0.78 AOC3 (0.48) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL3809655 0.78 AOC3 (0.48) AOC3NPC1RAB9ALOXL2FLT3
Hydrochloric Acid SCHEMBL4591535 0.77 AOC3 (0.50) AOC3NPC1RAB9ALOXL2FLT3
Hydrochloric Acid SCHEMBL7697249 0.77 AOC3 (0.50) AOC3NPC1RAB9ALOXL2FLT3

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-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA AOC3 4160/4885NPC1 3855/4885RAB9A 713/4885

“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.