SCHEMBL7318052

SCHEMBL7318052

N#Cc1cc(-c2ccccn2)nn1-c1ccc(NC(=O)c2ccncc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 4/20 0.53
STIM1 Q13586 2/20 0.52
ORAI1 Q96D31 2/20 0.52
TRPC1 P48995 1/20 0.52
TRPC3 Q13507 1/20 0.52
EPHX2 P34913 4/20 0.42
GRM5 P41594 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM4 Q14833 1/20 0.41
NTRK1 P04629 3/20 0.41
HTT P42858 1/20 0.40
ABL1 P00519 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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 0.84 CRACR2A (0.51) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7323660 0.81 ORAI1 (0.75) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7319856 0.77 CRACR2A (0.58) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7325134 0.72 EPHX2 (0.57) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7325414 0.72 ORAI1 (0.56) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7326129 0.71 ORAI1 (0.60) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7324026 0.71 EPHX2 (0.55) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL7326180 0.71 ALDH1A1 (0.54) GRM5TDP1HTTMEN1KMT2A
SCHEMBL7322966 0.71 ORAI1 (0.76) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL28072916 0.70 HTT (0.67) 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
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP claimed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO claimed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 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 (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.