SCHEMBL2171011

SCHEMBL2171011

Nc1ccc(-c2ccc3c(=O)[nH]cc(Cl)c3c2)n2cc(C(F)(F)F)nc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.35
WDR77 Q9BQA1 5/20 0.35
PDE4B Q07343 2/20 0.35
PDE3A Q14432 2/20 0.35
MAT2A P31153 2/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
TNKS O95271 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL2216150 0.85 MAT2A (0.40) PRMT5WDR77PDE4BPDE3AMAT2A
SCHEMBL7948833 0.85 PRMT5 (0.36) PRMT5WDR77
SCHEMBL2170742 0.69 PRMT5 (0.36) PRMT5WDR77PDE4BPDE3ATNKS
SCHEMBL2215183 0.68 MAT2A (0.34) PRMT5WDR77MAT2APTGS1PTGS2
SCHEMBL2217605 0.68 LRRK2 (0.34) PDE4BPDE3AKCNQ3KCNQ2PTGS1
SCHEMBL7945841 0.67 MAT2A (0.34) PRMT5WDR77MAT2APTGS1PTGS2
SCHEMBL2170670 0.65 PDE4B (0.45) PRMT5WDR77PDE4BPDE3AMAT2A
SCHEMBL2172480 0.63 PDE4B (0.51) PDE4BPDE3A
SCHEMBL31426340 0.63 PARP1 (0.46) PRMT5WDR77
SCHEMBL27159684 0.62 PRMT5 (0.35) PRMT5WDR77

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 PRMT5 566/4885WDR77 1669/4885PDE4B 6/4885

“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.