SCHEMBL2594547

SCHEMBL2594547

CC(C)Sc1ccc2nccc(O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ABL1 P00519 1/20 0.34
CHRM2 P08172 2/20 0.33
AR P10275 2/20 0.33
SLC22A12 Q96S37 2/20 0.32
ERN1 O75460 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
RET P07949 1/20 0.30
STK17B O94768 1/20 0.30
MAPKAPK2 P49137 2/20 0.30
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
NR4A2 P43354 1/20 0.30

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
SCHEMBL17059462 0.82 SMN1; SMN2 (0.60) SMN1; SMN2LMNACYP1A2CYP2C19HIF1A
SCHEMBL2588801 0.81 SMN1; SMN2 (0.44) SMN1; SMN2LMNACYP1A2CYP2C19SLC22A12
SCHEMBL14717415 0.81 SMN1; SMN2 (0.41) SMN1; SMN2LMNACYP1A2CYP2C19HIF1A
SCHEMBL14706907 0.77 SMN1; SMN2 (0.39) SMN1; SMN2LMNACYP1A2CYP2C19HIF1A
SCHEMBL2594549 0.75 SMN1; SMN2 (0.39) SMN1; SMN2LMNACYP1A2CYP2C19AR
SCHEMBL11011054 0.75 TYR (0.47) SMN1; SMN2LMNACYP1A2CYP2C19HIF1A
SCHEMBL5539379 0.72 HTR1A (0.54) LMNASLC22A12KDM4EMAPKAPK2HTR1A
SCHEMBL30819181 0.71 PARP1 (0.47) LMNAHIF1AERN1KDM4EMAPT
SCHEMBL1332713 0.71 PARP1 (0.47) LMNAHIF1AERN1KDM4EMAPT
SCHEMBL8603400 0.71 NR4A2 (0.40) CYP1A2CYP2C19CHRM2ARKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP disclosed
EP-2566477-A1 AMINO-QUINOLINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-03-13 EP disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 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 (2 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-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 SMN1; SMN2 4200/4885LMNA 2904/4885CYP1A2 2644/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 SMN1; SMN2 4200/4885LMNA 2904/4885CYP1A2 2644/4885

“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.