SCHEMBL1788291

SCHEMBL1788291

Nn1nc(C#Cc2ccccc2)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT1 P54687 1/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ APP P05067 1/20 0.39
▸ MAPT P10636 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ RET P07949 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRM4 Q14833 3/20 0.34
▸ ADORA1 P30542 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ IP6K1 Q92551 1/20 0.33
▸ IP6K3 Q96PC2 1/20 0.33
▸ IP6K2 Q9UHH9 1/20 0.33

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
SCHEMBL22664650 0.73 ABL1 (0.45) ADORA2AAPPABL1RETGRM5
SCHEMBL1788116 0.69 ALDH1A1 (0.57) KDM4EKMT2AALDH1A1
SCHEMBL1786624 0.68 NPSR1 (0.56) CA12CA1CA2CA9KDM4E
SCHEMBL1787409 0.68 SMN1; SMN2 (0.47) MAPTKDM4EKMT2AADORA1ALDH1A1
SCHEMBL1788702 0.68 ALDH1A1 (0.40) BCAT1MAPTKDM4EMAPK1KMT2A
SCHEMBL1785575 0.67 ATM (0.51) ADORA2AAPPMAPTKDM4EGRM5
SCHEMBL1789115 0.67 KMT2A (0.40) BCAT1KDM4EMAPK1KMT2AADORA1
SCHEMBL1787363 0.66 TSHR (0.61) MAPTKDM4EKMT2AALDH1A1
SCHEMBL13721812 0.66 LMNA (0.40) MAPTKDM4EMAPK1KMT2AADORA1
SCHEMBL1789865 0.65 SMN1; SMN2 (0.41) KDM4EADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — US 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 BCAT1 4461/4885ADORA2A 1413/4885APP 1354/4885

“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.

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