SCHEMBL1667962

SCHEMBL1667962

Cc1oncc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 15/20 1.00
ORAI1 Q96D31 3/20 0.56
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
THRB P10828 1/20 0.49
PIM1 P11309 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAOA P21397 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
AGTR1 P30556 1/20 0.49
CCKBR P32239 1/20 0.49
MC4R P32245 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL12637962 0.91 CRACR2A (0.83) CRACR2ANPC1RAB9AGMNNLMNA
SCHEMBL1883639 0.86 CRACR2A (1.00) CRACR2AORAI1NPC1RAB9AGMNN
SCHEMBL1881601 0.82 CRACR2A (1.00) CRACR2AORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL1668007 0.82 CRACR2A (0.76) CRACR2AORAI1
SCHEMBL1883281 0.81 CRACR2A (0.75) CRACR2AORAI1
SCHEMBL12637829 0.78 CRACR2A (0.68) CRACR2AORAI1
SCHEMBL1668375 0.78 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1667966 0.77 CRACR2A (0.81) CRACR2AORAI1
SCHEMBL12638066 0.77 CRACR2A (0.80) CRACR2ANPC1RAB9AGMNNLMNA
SCHEMBL12637818 0.76 CRACR2A (0.73) CRACR2AORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113557020-A Compositions comprising CRAC inhibitors and corticosteroids and methods of use thereof 瑞真药业公司 2021-10-26 CN claimed
EP-3299361-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2018-03-28 EP claimed
US-9758514-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2017-09-12 US claimed
US-20150166526-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2015-06-18 US claimed
US-20130310377-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Phamaceuticals SA (CH) 2013-11-21 US claimed
US-20110105447-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-05 US claimed
CN-113557020-A Compositions comprising CRAC inhibitors and corticosteroids and methods of use thereof 瑞真药业公司 2021-10-26 CN disclosed
US-10668051-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2020-06-02 US disclosed
US-10668051-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2020-06-02 US disclosed
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2019-05-30 US disclosed
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2019-05-30 US disclosed
US-10246450-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2019-04-02 US disclosed
US-10246450-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2019-04-02 US disclosed
US-20130310377-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Phamaceuticals SA (CH) 2013-11-21 US disclosed
US-8377970-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2013-02-19 US disclosed
US-8377970-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2013-02-19 US disclosed
US-8377970-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2013-02-19 US disclosed
EP-2509955-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2012-10-17 EP disclosed
US-20110105447-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-05 US disclosed
WO-2011042797-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL ICOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 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 (6 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-20110105447-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885ORAI1 1/4885NPC1 1978/4885
US-10668051-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 CRACR2A 55/4885ORAI1 1/4885NPC1 1679/4885
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885ORAI1 1/4885NPC1 1978/4885
US-20130310377-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885ORAI1 1/4885NPC1 1978/4885
US-20150166526-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885ORAI1 1/4885NPC1 1978/4885
US-10246450-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 CRACR2A 55/4885ORAI1 1/4885NPC1 1679/4885

“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.