SCHEMBL6897231

SCHEMBL6897231

CCc1nc2cc(CC(F)(F)F)ccc2n1-c1ccc(CCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.40
IRAK1 P51617 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CRBN Q96SW2 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
PDE10A Q9Y233 5/20 0.34
PTGER4 P35408 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
RPS6KA5 O75582 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL1624882 0.86 MAP3K7 (0.45) MAP3K7IRAK1IRAK4TP53MAPT
SCHEMBL1623705 0.84 AGTR1 (0.43) TP53MAPTESR1ESR2MEN1
SCHEMBL1625182 0.84 PDE10A (0.47) TP53MAPTESR1ESR2NTRK1
SCHEMBL1626861 0.82 TP53 (0.47) MAP3K7IRAK1IRAK4TP53MAPT
SCHEMBL1626020 0.82 PPARG (0.41) TP53MAPTESR1ESR2MEN1
SCHEMBL1625031 0.82 KMT2A (0.47) TP53MAPTESR1ESR2MEN1
SCHEMBL27600128 0.81 TP53 (0.43) MAP3K7IRAK1IRAK4TP53MAPT
SCHEMBL1626167 0.80 ESR1 (0.41) TP53MAPTESR1ESR2MEN1
SCHEMBL1623753 0.80 TDP1 (0.46) TP53MAPTMEN1KMT2APDE10A
SCHEMBL1625980 0.79 TP53 (0.45) TP53MAPTMEN1KMT2ANTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 MAP3K7 3234/4885IRAK1 699/4885IRAK4 930/4885

“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.