SCHEMBL2170946

SCHEMBL2170946

CNc1ccc(-c2ccc3[nH]c(=O)ccc3c2)c2c(Cl)c(C(F)(F)F)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ARF6 P62330 7/20 0.36
MAPK14 Q16539 2/20 0.35
PIK3CD O00329 2/20 0.33
ABL1 P00519 2/20 0.33
EGFR P00533 2/20 0.33
HCK P08631 2/20 0.33
SRC P12931 2/20 0.33
KDR P35968 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CG P48736 2/20 0.33
EPHB4 P54760 2/20 0.33
PRKDC P78527 2/20 0.33
AR P10275 1/20 0.33
KIF11 P52732 1/20 0.31
PLAT P00750 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
SCHEMBL12513248 0.89 CA12 (0.39) F11CA12CA9ARF6MAPK14
SCHEMBL2171854 0.85 F11 (0.36) F11CA12CA9ARF6MAPK14
SCHEMBL2173257 0.80 PDE4B (0.40) F11CA12CA9MAPK14PIK3CD
SCHEMBL2232198 0.79 ALOX15 (0.35) PIK3CDABL1EGFRHCKSRC
SCHEMBL2217843 0.76 PRMT5 (0.37) ARF6PDE4B
SCHEMBL2170930 0.76 PARP10 (0.47)
SCHEMBL12513263 0.74 CA12 (0.39) F11CA12CA9ARF6MAPK14
SCHEMBL2170660 0.68 PDE4B (0.35) PDE4B
SCHEMBL2170974 0.68 F11 (0.36) F11CA12CA9ARF6PIK3CD
SCHEMBL2172679 0.68 PIK3CD (0.38) F11CA12CA9MAPK14PIK3CD

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 4 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
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 F11 3767/4885CA12 4710/4885CA9 1925/4885

“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.