SCHEMBL2216150

SCHEMBL2216150

CNc1ccc(-c2ccc3c(=O)[nH]cc(Cl)c3c2)n2cc(C(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 3/20 0.40
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.36
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
PDE4B Q07343 2/20 0.34
PDE3A Q14432 2/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
SCHEMBL2171011 0.85 PRMT5 (0.35) MAT2APTGS2PTGS1PRMT5WDR77
SCHEMBL2215183 0.81 MAT2A (0.34) MAT2APTGS2PTGS1PRMT5WDR77
SCHEMBL7945841 0.80 MAT2A (0.34) MAT2APTGS2PTGS1PRMT5WDR77
SCHEMBL7948833 0.72 PRMT5 (0.36) PRMT5WDR77
SCHEMBL2170670 0.69 PDE4B (0.45) MAT2APTGS2PTGS1PRMT5WDR77
SCHEMBL2217605 0.68 LRRK2 (0.34) PTGS2PTGS1PDE4BPDE3AKCNQ3
SCHEMBL2172480 0.65 PDE4B (0.51) PDE4BPDE3A
SCHEMBL2170742 0.65 PRMT5 (0.36) PTGS2PTGS1PRMT5WDR77PDE4B
SCHEMBL2170274 0.65 PTGS2 (0.35) MAT2APTGS2PTGS1PDE4BPDE3A
SCHEMBL2217843 0.64 PRMT5 (0.37) PRMT5WDR77PDE4B

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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B MAT2A 540/4885PTGS2 111/4885PTGS1 108/4885

“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.