SCHEMBL2172816

SCHEMBL2172816

COc1ccc(-c2ccc3c(ccc(=O)n3C)c2)c2c(Cl)c(C(F)(F)F)nn12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.35
BRPF1 P55201 2/20 0.34
BRD9 Q9H8M2 2/20 0.34
BRD7 Q9NPI1 2/20 0.34
PDE3A Q14432 5/20 0.34
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
PDE5A O76074 1/20 0.32
TLR8 Q9NR97 2/20 0.31
SCN9A Q15858 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
SCHEMBL12513253 0.89 BRD9 (0.35) PDE4BBRPF1BRD9BRD7PDE3A
SCHEMBL7950914 0.85 BRPF1 (0.34) PDE4BBRPF1BRD9
SCHEMBL2171854 0.81 F11 (0.36) PDE4BPDE3A
SCHEMBL2171427 0.80 PDE4B (0.52) PDE4BPDE3A
SCHEMBL2232652 0.79 CYP11B1 (0.39) PDE4BPDE3A
SCHEMBL2232273 0.77 PDE4B (0.41) PDE4BPDE3A
SCHEMBL2216271 0.76 MEN1 (0.39) PDE4BPDE3A
SCHEMBL12436151 0.76 HSD17B1 (0.42) PDE4BPDE3A
SCHEMBL2172407 0.76 CYP11B1 (0.45) PDE3A
SCHEMBL12436146 0.75 CYP1A2 (0.41) PDE4BPDE3APDE5A

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 5 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 claimed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US claimed
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
WO-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 WO 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 6/4885BRPF1 818/4885BRD9 359/4885

“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.