SCHEMBL3758988

SCHEMBL3758988

[C]#Cc1ncccc1NCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
SLC40A1 Q9NP59 3/20 0.41
KAT2B Q92831 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
NCF1 P14598 2/20 0.40
SLC2A1 P11166 1/20 0.38
GAA P10253 1/20 0.38
ALPG P10696 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RAD52 P43351 1/20 0.37
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TOP2A P11388 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL3300051 0.76 CYP2C19 (0.54) CYP2C19SLC40A1KAT2BHRH3NCF1
SCHEMBL14662152 0.74 CYP2C19 (0.44) CYP2C19SLC40A1NCF1SLC2A1GAA
SCHEMBL1746874 0.72 CYP2C19 (0.53) CYP2C19SLC40A1KAT2BHRH3NCF1
SCHEMBL3758986 0.71 IDO1 (0.31) ALDH1A1HSP90AA1HSP90AB1
SCHEMBL5258796 0.70 SLC40A1 (0.36) CYP2C19SLC40A1KAT2BGAAKDM4E
SCHEMBL5622381 0.69 ALDH1A1 (0.62) CYP2C19KAT2BHRH3GAAALPG
SCHEMBL29943771 0.67 CYP2C19 (1.00) CYP2C19HRH3GAAALPGKDM4E
SCHEMBL4440939 0.67 CYP2C19 (1.00) CYP2C19HRH3GAAALPGKDM4E
SCHEMBL7470851 0.67 CYP2C19 (0.54) CYP2C19KAT2BHRH3GAAALPG
SCHEMBL4279158 0.67 CYP2C19 (0.54) CYP2C19KAT2BHRH3NCF1GAA

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 CYP2C19 1473/4885SLC40A1 4309/4885KAT2B 3158/4885

“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.