SCHEMBL7327229

SCHEMBL7327229

CCOc1cc(C(F)(F)F)nn1-c1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.53
PTGS1 P23219 10/20 0.49
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDPK1 O15530 2/20 0.39
PDE4D Q08499 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
SCHEMBL25975860 0.86 PTGS2 (0.47) PTGS2PTGS1KDM4EALDH1A1PDPK1
SCHEMBL13495083 0.84 TGFBR1 (0.48) PTGS2PTGS1KDM4EALDH1A1
SCHEMBL3107359 0.84 PTGS2 (0.69) PTGS2PTGS1CYP3A4CYP2C9TSHR
SCHEMBL7326690 0.84 PTGS2 (0.64) PTGS2PTGS1KDM4EALDH1A1CYP1A2
SCHEMBL29140747 0.84 PTGS2 (0.50) PTGS2PTGS1KDM4EALDH1A1
SCHEMBL29229191 0.84 PTGS2 (0.50) PTGS2PTGS1KDM4EALDH1A1CYP2C9
SCHEMBL29229249 0.84 PDPK1 (0.49) PTGS2PTGS1KDM4EALDH1A1CYP2C9
SCHEMBL25344475 0.83 PDPK1 (0.53) PTGS2PTGS1KDM4EALDH1A1PDPK1
SCHEMBL31254695 0.80 ALDH1A1 (0.47) PTGS2PTGS1KMT2AKDM4EALDH1A1
SCHEMBL29229235 0.80 ALDH1A1 (0.45) PTGS2PTGS1KDM4EALDH1A1NPSR1

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 3 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 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 PTGS2 158/4885PTGS1 197/4885MEN1 1025/4885

“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.