SCHEMBL1177501

SCHEMBL1177501

[CH2]c1ccccc1-c1ncccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
PDE5A O76074 2/20 0.43
AURKA O14965 1/20 0.43
S100A4 P26447 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
PADI1 Q9ULC6 1/20 0.41
PADI3 Q9ULW8 1/20 0.41
PADI4 Q9UM07 1/20 0.41
PADI2 Q9Y2J8 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PDE10A Q9Y233 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP19A1 P11511 1/20 0.40
HPGD P15428 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 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
SCHEMBL28044194 0.85 ALDH1A1 (0.58) ALDH1A1PDE5AAURKAS100A4HKDC1
SCHEMBL15674467 0.79 DPP4 (0.53) ALDH1A1PDE5AAURKAPDE10AGAA
SCHEMBL15674510 0.79 MAP4K1 (0.45) ALDH1A1PDE5AAURKAS100A4HKDC1
SCHEMBL29894839 0.79 CA1 (0.50) ALDH1A1PDE5AAURKAS100A4HKDC1
SCHEMBL5702570 0.79 CA1 (0.50) ALDH1A1PDE5AAURKAS100A4HKDC1
SCHEMBL6065171 0.78 ALDH1A1 (0.53) ALDH1A1PDE5AAURKASMN1; SMN2CYP19A1
SCHEMBL13330989 0.77 PDE10A (0.42) ALDH1A1PDE5AAURKAS100A4HKDC1
SCHEMBL27526791 0.77 ALDH1A1 (0.56) ALDH1A1PDE5AAURKASMN1; SMN2CYP19A1
SCHEMBL2491880 0.75 CA1 (0.52) ALDH1A1SMN1; SMN2HPGDCA12CA1
SCHEMBL15674315 0.75 KDM4E (0.43) ALDH1A1PDE5AAURKAS100A4HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
US-8168634-B2 Thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-05-01 US disclosed
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 EP disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-11-25 US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
EP-2084155-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-08-05 EP disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 US disclosed
WO-2008047109-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-04-24 WO disclosed
EP-1881827-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2008-01-30 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
WO-2006114606-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2006-11-02 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 (4 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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA ALDH1A1 2279/4885PDE5A 1655/4885AURKA 320/4885
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors TEC, BTK, PI4KA ALDH1A1 3055/4885PDE5A 2251/4885AURKA 467/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA ALDH1A1 3061/4885PDE5A 2837/4885AURKA 364/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 ALDH1A1 1901/4885PDE5A 1781/4885AURKA 332/4885

“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.