SCHEMBL1701208

SCHEMBL1701208

Cc1cc2c(cc1-c1cnc(N)cn1)CCO2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.38
FEN1 P39748 9/20 0.38
DYRK1A Q13627 2/20 0.38
PIK3CA P42336 5/20 0.35
MTOR P42345 3/20 0.35
PIK3R1 P27986 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PI4K2A Q9BTU6 1/20 0.32

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
SCHEMBL2544096 0.85 ALOX5AP (0.41) ALOX5APFEN1PIK3CAMTORPIK3R1
SCHEMBL1701261 0.83 ALOX5AP (0.38) ALOX5APFEN1DYRK1APIK3CAMTOR
SCHEMBL1701302 0.81 ALOX5AP (0.38) ALOX5APFEN1DYRK1APIK3CAMTOR
SCHEMBL1701285 0.80 DYRK1A (0.46) DYRK1APIK3CAMTORMAPTRAB9A
SCHEMBL17244774 0.74 DYRK1A (0.46) DYRK1APIK3CAMTORMAPTRAB9A
SCHEMBL6075362 0.73 NOS3 (0.48) ALOX5APFEN1
SCHEMBL1701232 0.73 ALOX5AP (0.36) ALOX5APFEN1PIK3CAMTORPIK3R1
SCHEMBL1702358 0.71 STIM1 (0.55) ALOX5APFEN1
SCHEMBL23618815 0.70 DYRK1A (0.41) DYRK1APIK3CAMAPTRAB9ASMN1; SMN2
SCHEMBL17828247 0.70 DYRK1A (0.49) DYRK1APIK3CAMTORMAPTRAB9A

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-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 US disclosed
US-20130345193-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 ALOX5AP 796/4885FEN1 4618/4885DYRK1A 3712/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ALOX5AP 796/4885FEN1 4618/4885DYRK1A 3712/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX5AP 796/4885FEN1 4618/4885DYRK1A 3712/4885
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX5AP 796/4885FEN1 4618/4885DYRK1A 3712/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX5AP 796/4885FEN1 4618/4885DYRK1A 3712/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ALOX5AP 796/4885FEN1 4618/4885DYRK1A 3712/4885
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX5AP 796/4885FEN1 4618/4885DYRK1A 3712/4885

“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.