SCHEMBL2170670

SCHEMBL2170670

CNc1ccc(-c2ccc3c(=O)[nH]cc(Cl)c3c2)c2cc(C(F)(F)F)nn12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.45
PRMT5 O14744 5/20 0.37
WDR77 Q9BQA1 5/20 0.37
PDE3A Q14432 4/20 0.37
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAT2A P31153 1/20 0.32
ROCK1 Q13464 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
SCHEMBL7947531 0.89 PDE4B (0.39) PDE4BPRMT5WDR77PDE3AROCK1
SCHEMBL2170742 0.86 PRMT5 (0.36) PDE4BPRMT5WDR77PDE3APTGS1
SCHEMBL2172480 0.85 PDE4B (0.51) PDE4BPDE3A
SCHEMBL2217843 0.83 PRMT5 (0.37) PDE4BPRMT5WDR77
SCHEMBL2173257 0.73 PDE4B (0.40) PDE4BPDE3A
SCHEMBL2171767 0.72 PARP10 (0.48) PDE4BPDE3A
SCHEMBL7946540 0.72 PRMT5 (0.38) PRMT5WDR77
SCHEMBL2216150 0.69 MAT2A (0.40) PDE4BPRMT5WDR77PDE3APTGS1
SCHEMBL2216527 0.69 PRMT5 (0.35) PDE4BPRMT5WDR77PDE3A
SCHEMBL2459931 0.69 PDE4B (0.44) PDE4BPDE3A

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
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP 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
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 PDE4B 6/4885PRMT5 566/4885WDR77 1669/4885

“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.