Sugi Predict

Sugi Predict / Compounds / SCHEMBL9986551

SCHEMBL9986551

SCHEMBL9986551

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPK8 P45983 8/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK9 P45984 4/20 0.40
▸ NR4A2 P43354 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ MAPK10 P53779 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL9987968 0.87 ALDH1A1 (0.49) ALDH1A1MAPK8MAPK9KDM4EMAPK1
SCHEMBL9986322 0.87 ALDH1A1 (0.40) ALDH1A1L3MBTL1GAAMAPK1STAT3
SCHEMBL9987521 0.86 CCR2 (0.46) ALDH1A1KDM4EGAAMAPK1STAT3
SCHEMBL9986429 0.85 TRPM8 (0.36) ALDH1A1MAPK8GAAMAPK1STAT3
SCHEMBL12074546 0.82 ALDH1A1 (0.44) ALDH1A1MAPK8L3MBTL1MAPK9NR4A2
SCHEMBL9987965 0.81 ALDH1A1 (0.44) ALDH1A1MAPK8NR4A2KDM4EGAA
SCHEMBL9999291 0.73 PIK3CD (0.41) —
SCHEMBL9987074 0.72 NOTUM (0.46) L3MBTL1KDM4ENOTUMHPGD
SCHEMBL9986694 0.70 CENPE (0.45) KDM4ENOTUMCYP1A2CYP3A4CYP2D6
SCHEMBL12074544 0.70 TRPM8 (0.38) ALDH1A1MAPK8L3MBTL1KDM4ENOTUM

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 7 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
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 3993/4885MAPK8 1210/4885L3MBTL1 2464/4885

“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.