SCHEMBL1702019

SCHEMBL1702019

Nc1ccc(-c2cc3nsnc3cc2C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.50
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PIK3CA P42336 1/20 0.40
NPBWR1 P48145 2/20 0.40
FEN1 P39748 4/20 0.39
ALOX5AP P20292 2/20 0.39
TDO2 P48775 2/20 0.38
BACE1 P56817 1/20 0.38
MAP4K4 O95819 1/20 0.36
MTOR P42345 2/20 0.36
PDE10A Q9Y233 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL4493932 0.75 FEN1 (0.64) PIK3CDPDE3BPDE3ANPBWR1FEN1
SCHEMBL3058654 0.72 FEN1 (0.58) PIK3CDPDE3BPDE3AKDM4EALDH1A1
SCHEMBL1702133 0.71 IL2 (0.46) ALDH1A1
SCHEMBL12155445 0.70 NPC1 (0.51) KDM4EALDH1A1GAA
SCHEMBL14670733 0.70 PTPN11 (0.39) KDM4EALDH1A1GAABACE1
SCHEMBL2762444 0.69 PIK3CD (0.71) PIK3CDPDE3BPDE3APIK3CANPBWR1
SCHEMBL4493866 0.66 FEN1 (0.53) PIK3CDNPBWR1FEN1ALOX5APTDO2
SCHEMBL26458801 0.65 FEN1 (0.40) PIK3CDPDE3BPDE3AGAAFEN1
SCHEMBL3713975 0.65 PIK3CD (0.60) PIK3CDPDE3BPDE3APIK3CANPBWR1
SCHEMBL2814348 0.65 NPBWR1 (0.53) PIK3CDKDM4EALDH1A1NPBWR1FEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905248-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2024-02-20 US disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 US disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 EP disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 US disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 US disclosed
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 US disclosed
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 US disclosed
EP-2563776-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-03-06 EP disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 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 (7 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PIK3CD 350/4885PDE3B 1494/4885PDE3A 1430/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 PIK3CD 350/4885PDE3B 1494/4885PDE3A 1430/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PIK3CD 350/4885PDE3B 1494/4885PDE3A 1430/4885
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PIK3CD 350/4885PDE3B 1494/4885PDE3A 1430/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PIK3CD 350/4885PDE3B 1494/4885PDE3A 1430/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 PIK3CD 350/4885PDE3B 1494/4885PDE3A 1430/4885
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PIK3CD 350/4885PDE3B 1494/4885PDE3A 1430/4885

“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.