SCHEMBL16644201

SCHEMBL16644201

CCc1nn(-c2nccs2)cc1-c1ccc(N)nc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.36
PIK3CA P42336 4/20 0.33
FYN P06241 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL16644169 0.86 AURKA (0.33)
SCHEMBL16644112 0.84 KDM4E (0.34) MTORFYNKDM4EALDH1A1GAA
SCHEMBL16644144 0.82 PTK2 (0.33) MTORFYNKDM4EALDH1A1GAA
SCHEMBL16644134 0.82 FEN1 (0.36)
SCHEMBL16644168 0.79 PIK3CD (0.35) MTORFYNKDM4EALDH1A1GAA
SCHEMBL16644143 0.78 ALOX5AP (0.36) MTORPIK3CAFYNKDM4EALDH1A1
SCHEMBL16644200 0.74 KIT (0.30)
SCHEMBL16636701 0.74 IL2 (0.42) KDM4EALDH1A1GAA
SCHEMBL16636932 0.74 SCN9A (0.36) ALDH1A1MAPK1
SCHEMBL16636859 0.74 HTR1F (0.38) GAADYRK1ADYRK1BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MTOR 266/4885PIK3CA 799/4885FYN 1624/4885

“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.