SCHEMBL1668209

SCHEMBL1668209

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 19/20 1.00
TRPC1 P48995 1/20 0.59
TRPC3 Q13507 1/20 0.59
STIM1 Q13586 1/20 0.59
ORAI1 Q96D31 1/20 0.59

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
SCHEMBL27904321 0.90 CRACR2A (0.82) CRACR2A
SCHEMBL1668067 0.89 CRACR2A (1.00) CRACR2A
SCHEMBL1882402 0.88 CRACR2A (1.00) CRACR2ATRPC1TRPC3STIM1ORAI1
SCHEMBL1668063 0.88 CRACR2A (0.78) CRACR2ATRPC1TRPC3STIM1ORAI1
SCHEMBL12638164 0.87 CRACR2A (0.77) CRACR2ATRPC1TRPC3STIM1ORAI1
SCHEMBL1668340 0.87 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1670431 0.86 CRACR2A (1.00) CRACR2ATRPC1TRPC3STIM1ORAI1
Hydrochloric Acid SCHEMBL1667951 0.86 CRACR2A (0.98) CRACR2AORAI1
SCHEMBL1668206 0.85 CRACR2A (1.00) CRACR2A
SCHEMBL28073514 0.85 CRACR2A (0.76) 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 42 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
US-10246450-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2019-04-02 US claimed
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2018-08-09 US claimed
EP-2509955-B1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS S A (CH) 2018-04-25 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-8377970-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2013-02-19 US claimed
EP-2509955-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2012-10-17 EP claimed
US-20110105440-A1 HEXAHYDROCYCLOPENTYL[f]INDAZOLE SULFONAMIDES AND DERIVATIVES THEREOF AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. 2011-05-05 US claimed
US-20110105447-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-05 US claimed
WO-2011042797-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL ICOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 WO 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-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-20110105447-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-05 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

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-20110105447-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885TRPC1 49/4885TRPC3 50/4885
US-10668051-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 CRACR2A 55/4885TRPC1 52/4885TRPC3 50/4885
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885TRPC1 49/4885TRPC3 50/4885
US-20150166526-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885TRPC1 49/4885TRPC3 50/4885
US-20110105440-A1 HEXAHYDROCYCLOPENTYL[f]INDAZOLE SULFONAMIDES AND DERIVATIVES THEREOF AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, GRK5 CRACR2A 713/4885TRPC1 2832/4885TRPC3 1598/4885
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E CRACR2A 58/4885TRPC1 49/4885TRPC3 50/4885
US-10246450-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 CRACR2A 55/4885TRPC1 52/4885TRPC3 50/4885

“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.