Sugi Predict

Sugi Predict / Compounds / SCHEMBL956417

SCHEMBL956417

SCHEMBL956417

Cc1nn2ccccc2c1-c1nc(-c2ccccc2F)c(C(N)=O)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 6/20 0.51
▸ DBF4 Q9UBU7 6/20 0.51
▸ CCNE1 P24864 5/20 0.40
▸ CDK2 P24941 5/20 0.40
▸ DCTPP1 Q9H773 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PRKD3 O94806 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ PRKD2 Q9BZL6 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL955337 0.93 CDC7 (0.46) CDC7DBF4CCNE1CDK2JAK2
SCHEMBL955904 0.91 CDC7 (0.40) CDC7DBF4DCTPP1MEN1KMT2A
SCHEMBL955010 0.91 CDC7 (0.40) CDC7DBF4CCNE1CDK2PIM2
SCHEMBL953770 0.90 CDC7 (0.42) CDC7DBF4CCNE1CDK2JAK2
SCHEMBL952856 0.88 CDC7 (0.54) CDC7DBF4CCNE1CDK2DYRK1A
SCHEMBL953082 0.88 CDC7 (0.42) CDC7DBF4CCNE1CDK2LMNA
SCHEMBL951314 0.86 CDC7 (0.37) CDC7DBF4CCNE1CDK2MEN1
SCHEMBL953635 0.86 CDC7 (0.47) CDC7DBF4JAK2MEN1KMT2A
SCHEMBL954019 0.86 HTT (0.39) CDC7DBF4CCNE1CDK2JAK2
SCHEMBL958106 0.86 EGFR (0.45) CDC7DBF4CCNE1CDK2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 — — EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 — — 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 CDC7 601/4885DBF4 3288/4885CCNE1 1329/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885CCNE1 64/4885

“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.