Sugi Predict

Sugi Predict / Compounds / SCHEMBL9986322

SCHEMBL9986322

SCHEMBL9986322

CC(=O)c1c(C#N)c2ccccc2n1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ GRIA4 P48058 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9987521 0.89 CCR2 (0.46) ALDH1A1MAPK1STAT3NOTUMFAAH
SCHEMBL9986551 0.87 ALDH1A1 (0.46) ALDH1A1MAPK1STAT3NOTUMTDP1
SCHEMBL9986429 0.83 TRPM8 (0.36) ALDH1A1MAPK1STAT3NOTUMFAAH
SCHEMBL9987074 0.82 NOTUM (0.46) NOTUMFOLH1PPARGLMNAL3MBTL1
SCHEMBL1076907 0.80 ALDH1A1 (0.43) ALDH1A1MAPK1STAT3CCR2TDP1
SCHEMBL9999291 0.76 PIK3CD (0.41) PTGS1PTGS2EGFRSRCPIK3CD
SCHEMBL9987968 0.73 ALDH1A1 (0.49) ALDH1A1MAPK1STAT3TDP1MEN1
SCHEMBL20239638 0.72 L3MBTL1 (0.59) NOTUMFAAHMGLLMEN1KMT2A
SCHEMBL12074546 0.71 ALDH1A1 (0.44) ALDH1A1NOTUMKMT2AL3MBTL1
SCHEMBL9987237 0.69 ALDH1A1 (0.55) ALDH1A1NOTUM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 — — US disclosed
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 — — US disclosed
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 — — US disclosed
WO-2011163195-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-12-29 — — WO disclosed
WO-2011163195-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-12-29 — — WO disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 — — US disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 — — US disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 — — 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-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R4, PIK3CA ALDH1A1 3993/4885MAPK1 486/4885STAT3 227/4885

“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.