SCHEMBL7325438

SCHEMBL7325438

O=C(Nc1ccc(-n2nc(-c3nccs3)cc2Cl)cc1)c1ccncc1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 4/20 0.54
STIM1 Q13586 3/20 0.53
ORAI1 Q96D31 3/20 0.53
TRPC1 P48995 1/20 0.53
TRPC3 Q13507 1/20 0.53
ABL1 P00519 1/20 0.44
EPHX2 P34913 4/20 0.39
MCL1 Q07820 1/20 0.39
NR3C1 P04150 2/20 0.39
CYP11B2 P19099 1/20 0.38
MET P08581 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36

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
SCHEMBL7323583 0.86 CRACR2A (0.51) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7326133 0.80 CRACR2A (0.54) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7325477 0.79 ORAI1 (0.79) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL6110099 0.76 STIM1 (0.51) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL4762957 0.72 STIM1 (0.53) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL16900154 0.72 STIM1 (0.59) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7325134 0.71 EPHX2 (0.57) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7322966 0.71 ORAI1 (0.76) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL10255270 0.71 STIM1 (0.62) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7325966 0.71 STIM1 (0.64) CRACR2ASTIM1ORAI1TRPC1TRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US claimed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 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 (1 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 CRACR2A 3286/4885STIM1 2302/4885ORAI1 3522/4885

“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.