SCHEMBL1880912

SCHEMBL1880912

Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 14/20 0.56
ORAI1 Q96D31 3/20 0.52
PTGS2 P35354 2/20 0.49
PTGS1 P23219 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL626659 0.85 CRACR2A (0.56) CRACR2AORAI1PTGS2PTGS1KDM4E
SCHEMBL1667944 0.85 CRACR2A (0.56) CRACR2AORAI1PTGS2KDM4EALDH1A1
SCHEMBL30677012 0.85 CRACR2A (0.55) CRACR2AORAI1PTGS2
SCHEMBL20006306 0.82 CRACR2A (0.61) CRACR2AORAI1PTGS2PTGS1
SCHEMBL30785286 0.82 CRACR2A (0.56) CRACR2AORAI1PTGS2
SCHEMBL30785292 0.82 CRACR2A (0.53) CRACR2AORAI1PTGS2KDM4EALDH1A1
SCHEMBL20006304 0.82 CRACR2A (0.53) CRACR2AORAI1PTGS2PTGS1KDM4E
SCHEMBL30677204 0.82 CRACR2A (0.53) CRACR2AORAI1
SCHEMBL1668441 0.81 CRACR2A (0.65) CRACR2AORAI1PTGS2
SCHEMBL1667988 0.81 CRACR2A (0.56) CRACR2AORAI1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10668051-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2020-06-02 US disclosed
CN-110627724-A Pyrazole derivative calcium release-activated calcium channel modulators and methods of treating non-small cell lung cancer 理森制药股份公司 2019-12-31 CN disclosed
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS SA (CH) 2019-08-15 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-10174034-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer RHIZEN PHARMACEUTICALS SA (CH) 2019-01-08 US disclosed
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2018-08-09 US disclosed
US-9944631-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2018-04-17 US disclosed
EP-2509974-B1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS S A (CH) 2018-04-11 EP disclosed
US-20170313690-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2017-11-02 US disclosed
US-9758514-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2017-09-12 US disclosed
US-20150291588-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS SA (CH) 2015-10-15 US disclosed
US-20150166526-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2015-06-18 US disclosed
US-8993612-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer RHIZEN PHARMACEUTICALS SA (CH) 2015-03-31 US disclosed
US-8921364-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2014-12-30 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-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 US disclosed
US-20110105447-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-05 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 (12 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 1/4885PTGS2 1000/4885
US-10668051-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 CRACR2A 55/4885ORAI1 1/4885PTGS2 830/4885
US-20170313690-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885ORAI1 1/4885PTGS2 1000/4885
US-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 CRACR2A 53/4885ORAI1 1/4885PTGS2 1039/4885
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885ORAI1 1/4885PTGS2 1000/4885
US-20130310377-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885ORAI1 1/4885PTGS2 1000/4885
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 CRACR2A 53/4885ORAI1 1/4885PTGS2 1039/4885
US-20150166526-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885ORAI1 1/4885PTGS2 1000/4885
US-20150291588-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 CRACR2A 53/4885ORAI1 1/4885PTGS2 1039/4885
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885ORAI1 1/4885PTGS2 1000/4885
US-10246450-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 CRACR2A 55/4885ORAI1 1/4885PTGS2 830/4885
US-10174034-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer ORAI1, CACNA1E, CACNB2 CRACR2A 55/4885ORAI1 1/4885PTGS2 916/4885

“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.