SCHEMBL4486456

SCHEMBL4486456

Cc1c(-c2ccccc2)ccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
KAT6A Q92794 1/20 0.40
ESR2 Q92731 1/20 0.39
PTGS2 P35354 5/20 0.39
PTGS1 P23219 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FABP2 P12104 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C4 P17516 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
PARP10 Q53GL7 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
SCHEMBL15856371 0.86 PDCD1 (0.45) PDCD1CD274ESR2PTGS2PTGS1
SCHEMBL10985670 0.83 GRIN1 (0.40) PDCD1CD274KAT6AESR2PTGS2
SCHEMBL10263187 0.83 ESR2 (0.44) PDCD1CD274ESR2PTGS2PTGS1
SCHEMBL15856379 0.81 PDCD1 (0.41) PDCD1CD274KAT6AESR2PTGS2
SCHEMBL1685615 0.79 ALOX5AP (0.47) PTGS2PTGS1MEN1KMT2AFABP2
SCHEMBL27456057 0.79 POLB (0.40) PDCD1CD274KAT6AESR2PTGS2
SCHEMBL15593976 0.79 CYP2A6 (0.45) PDCD1CD274KAT6AESR2PTGS2
SCHEMBL9792869 0.78 PDCD1 (0.54) PDCD1CD274ESR2PTGS2PTGS1
SCHEMBL29131318 0.77 ALOX5AP (0.46) PTGS2PTGS1MEN1KMT2AFABP2
SCHEMBL16934070 0.77 DHODH (0.42) PDCD1CD274ESR2PTGS2PTGS1

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-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 PDCD1 2295/4885CD274 1854/4885KAT6A 4090/4885

“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.