Sugi Predict

Sugi Predict / Compounds / SCHEMBL2172679

SCHEMBL2172679

SCHEMBL2172679

Nc1ccc(-c2ccc3[nH]c(=O)ccc3c2)c2cc(C(F)(F)F)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ HCK P08631 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ MTOR P42345 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ EPHB4 P54760 2/20 0.38
▸ PRKDC P78527 2/20 0.38
▸ AR P10275 3/20 0.37
▸ PDE4B Q07343 3/20 0.35
▸ PDE3A Q14432 3/20 0.35
▸ F11 P03951 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MAPK14 Q16539 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL2173257 0.85 PDE4B (0.40) PIK3CDABL1EGFRHCKSRC
SCHEMBL2172993 0.84 PDE4B (0.53) PDE4BPDE3A
SCHEMBL2171091 0.77 PDE4B (0.54) PDE4BPDE3A
SCHEMBL2170742 0.72 PRMT5 (0.36) PDE4BPDE3A
SCHEMBL2172687 0.69 PDE4B (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL12513248 0.68 CA12 (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL2170946 0.68 F11 (0.36) PIK3CDABL1EGFRHCKSRC
SCHEMBL2173651 0.67 PDE4B (0.53) PIK3CDABL1EGFRHCKSRC
SCHEMBL4294984 0.67 TRPA1 (0.57) ARF11CA12CA9
SCHEMBL4294313 0.66 AR (0.50) ARF11CA12CA9MAPT

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 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
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 PIK3CD 532/4885ABL1 1591/4885EGFR 4839/4885

“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.