SCHEMBL1670356

SCHEMBL1670356

O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
PTGS2 P35354 3/20 0.56
CRACR2A Q9BSW2 14/20 0.54
ORAI1 Q96D31 2/20 0.50

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
SCHEMBL1668922 0.83 CRACR2A (0.54) PTGS1PTGS2CRACR2A
SCHEMBL1882594 0.83 CRACR2A (0.55) PTGS1CRACR2AORAI1
SCHEMBL1668809 0.81 MAPT (0.51) PTGS1CRACR2AORAI1
SCHEMBL1668396 0.81 CRACR2A (0.53) PTGS1PTGS2CRACR2AORAI1
SCHEMBL1671054 0.81 CRACR2A (0.44) PTGS1PTGS2CRACR2A
SCHEMBL1667944 0.80 CRACR2A (0.56) PTGS2CRACR2AORAI1
SCHEMBL1880912 0.80 CRACR2A (0.56) PTGS1PTGS2CRACR2AORAI1
SCHEMBL626659 0.80 CRACR2A (0.56) PTGS1PTGS2CRACR2AORAI1
SCHEMBL5212572 0.80 PTGS1 (0.66) PTGS1PTGS2ORAI1
SCHEMBL14887386 0.79 MAPT (0.67) PTGS1PTGS2

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-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
EP-2509955-B1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS S A (CH) 2018-04-25 EP 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-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
EP-2509974-A1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON- SMALL CELL LUNG CANCER Rhizen Pharmaceuticals S.A. (CH) 2012-10-17 EP 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-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
WO-2011042797-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL ICOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 WO disclosed
WO-2011042798-A1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON- SMALL CELL LUNG CANCER INCOZEN 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 (9 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 PTGS1 1010/4885PTGS2 1000/4885CRACR2A 58/4885
US-10668051-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 PTGS1 917/4885PTGS2 830/4885CRACR2A 55/4885
US-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 PTGS1 1071/4885PTGS2 1039/4885CRACR2A 53/4885
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E PTGS1 1010/4885PTGS2 1000/4885CRACR2A 58/4885
US-20130310377-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E PTGS1 1010/4885PTGS2 1000/4885CRACR2A 58/4885
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 PTGS1 1071/4885PTGS2 1039/4885CRACR2A 53/4885
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E PTGS1 1010/4885PTGS2 1000/4885CRACR2A 58/4885
US-10246450-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 PTGS1 917/4885PTGS2 830/4885CRACR2A 55/4885
US-10174034-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer ORAI1, CACNA1E, CACNB2 PTGS1 911/4885PTGS2 916/4885CRACR2A 55/4885

“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.