SCHEMBL7320709

SCHEMBL7320709

N#Cc1cccc(/C=C/c2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.40
TRPC3 Q13507 3/20 0.39
ORAI1 Q96D31 3/20 0.39
P4HB P07237 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
FBP1 P09467 1/20 0.38
TRPC1 P48995 1/20 0.36
STIM1 Q13586 1/20 0.36
PTGS1 P23219 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35

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
SCHEMBL7320721 1.00 PDPK1 (0.42) PDPK1KDM4EL3MBTL1THRBTRPC3
SCHEMBL7322669 1.00 PDPK1 (0.42) PDPK1KDM4EL3MBTL1THRBTRPC3
SCHEMBL4752045 0.81 PDPK1 (0.54) PDPK1KDM4EL3MBTL1THRBTRPC3
SCHEMBL7325618 0.76 HDAC1 (0.52) PDPK1THRBTRPC3ORAI1MAPT
SCHEMBL7328606 0.75 THRB (0.59) THRBTRPC3ORAI1MAPTTP53
SCHEMBL7326066 0.74 ORAI1 (0.64) THRBTRPC3ORAI1MAPTTP53
SCHEMBL7319850 0.74 ORAI1 (0.64) THRBTRPC3ORAI1MAPTTP53
SCHEMBL7319703 0.74 ORAI1 (0.45) PDPK1KDM4EL3MBTL1THRBTRPC3
SCHEMBL7319698 0.74 ORAI1 (0.45) PDPK1KDM4EL3MBTL1THRBTRPC3
SCHEMBL9186668 0.73 FBP1 (0.61) P4HBFBP1

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 6 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
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 PDPK1 3706/4885KDM4E 2261/4885L3MBTL1 4792/4885

“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.