SCHEMBL1906166

SCHEMBL1906166

COc1cccnc1C#Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.52
GRM5 P41594 5/20 0.48
KCNH2 Q12809 2/20 0.48
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
APP P05067 1/20 0.41
ADORA2A P29274 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
CA14 Q9ULX7 1/20 0.40
PLAU P00749 1/20 0.39

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
SCHEMBL4714333 0.80 KDM4E (0.45) EGFR
SCHEMBL1696993 0.77 APP (0.46) GRM5APPADORA2A
SCHEMBL4711575 0.76 HRH1 (0.48)
Hydrochloric Acid SCHEMBL19668231 0.75 APP (0.44) GRM5APPADORA2A
SCHEMBL2542498 0.75 RAB9A (0.43) EGFRGRM5PDGFRBPDGFRACA12
SCHEMBL31543924 0.74 PLAU (0.43) GRM5PDGFRBPDGFRACA12CA1
SCHEMBL4074994 0.74 PLAU (0.43) GRM5PDGFRBPDGFRACA12CA1
SCHEMBL3179011 0.74 PLCG1 (0.47) GRM5PDGFRBPDGFRACA12CA1
Hydrochloric Acid SCHEMBL30209361 0.73 PLCG1 (0.46) GRM5PDGFRBPDGFRACA12CA1
SCHEMBL3883842 0.73 MAPT (0.52) GRM5APPADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 EGFR 348/4885GRM5 3651/4885KCNH2 4340/4885

“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.