SCHEMBL1701025

SCHEMBL1701025

Cc1cc2ncoc2cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
DYRK1A Q13627 2/20 0.35
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ELANE P08246 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
TSHR P16473 1/20 0.31
NQO2 P16083 1/20 0.30

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
SCHEMBL30711473 0.92 CHRNB2 (0.38) CHRNB2CHRNA4DYRK1ABCHECES1
SCHEMBL29888711 0.83 CHRNB2 (0.42) CHRNB2CHRNA4DYRK1AMEN1ALDH1A1
SCHEMBL927293 0.83 CHRNB2 (0.42) CHRNB2CHRNA4DYRK1AMEN1ALDH1A1
SCHEMBL22304002 0.80 DYRK1A (0.42) CHRNB2CHRNA4DYRK1AMEN1ALDH1A1
SCHEMBL8861572 0.76 CHRNB2 (0.38) CHRNB2CHRNA4DYRK1AMEN1ALDH1A1
SCHEMBL1701091 0.76 AHR (0.39) CHRNB2CHRNA4DYRK1AMEN1ALDH1A1
SCHEMBL22304451 0.76 TERT (0.45) CHRNB2CHRNA4DYRK1AMEN1ALDH1A1
SCHEMBL25346718 0.76 HTR2A (0.41) CHRNB2CHRNA4CTNNB1WNT3ANQO2
SCHEMBL941915 0.75 CHRNB2 (0.48) CHRNB2CHRNA4DYRK1AMEN1ALDH1A1
SCHEMBL9118602 0.73 CHRNB2 (0.36) CHRNB2CHRNA4DYRK1AMEN1ALDH1A1

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 25 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
CN-116406272-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2023-07-07 CN disclosed
CN-114195805-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2022-03-18 CN disclosed
WO-2022017368-A1 DNA-PK SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 首药控股(北京)股份有限公司 2022-01-27 WO 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
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-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 CHRNB2 1237/4885CHRNA4 1357/4885DYRK1A 3712/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 CHRNB2 1237/4885CHRNA4 1357/4885DYRK1A 3712/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CHRNB2 1237/4885CHRNA4 1357/4885DYRK1A 3712/4885
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CHRNB2 1237/4885CHRNA4 1357/4885DYRK1A 3712/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CHRNB2 1237/4885CHRNA4 1357/4885DYRK1A 3712/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 CHRNB2 1237/4885CHRNA4 1357/4885DYRK1A 3712/4885
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CHRNB2 1237/4885CHRNA4 1357/4885DYRK1A 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.