SCHEMBL1459661

SCHEMBL1459661

Cn1[c]cc(-c2ccncc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.35
▸ FYN P06241 4/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ BRAF P15056 2/20 0.34
▸ KEAP1 Q14145 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ NOTUM Q6P988 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
SCHEMBL22506625 0.78 SCN4A (0.49) LMNAKMT2AKEAP1MAPK13CSNK1D
SCHEMBL1463133 0.76 MAP4K4 (0.39) MAPTBRAFCSNK1D
SCHEMBL4135008 0.72 KMT2A (0.65) DYRK1AGAALMNAMAPTKMT2A
SCHEMBL2751961 0.72 MAPT (0.39) LMNAMAPTKMT2ANOTUMCA9
SCHEMBL2751495 0.71 NOTUM (0.32) NOTUM
SCHEMBL2751108 0.71 AHR (0.43) LMNAMAPTKMT2ANOTUM
SCHEMBL2752324 0.71 ALDH1A1 (0.39) GAANOTUMCA1CA2
SCHEMBL1459946 0.69 KDM4E (0.52) LMNAMAPTFLT3
SCHEMBL2752096 0.68 CYP1B1 (0.47) KMT2A
SCHEMBL623376 0.68 ALDH1A1 (0.46) GAAMAPTKMT2AFYN

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-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP claimed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 — — CN claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP disclosed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 — — CN disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E DYRK1A 1201/4885GAA 3955/4885LMNA 2616/4885

“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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