Sugi Predict

Sugi Predict / Compounds / SCHEMBL15212505

SCHEMBL15212505

SCHEMBL15212505

CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)C1(C)Oc2ccc(Nc3nc(Cl)ncc3F)cc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 8/20 0.46
▸ JAK2 O60674 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ FGFR4 P22455 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CDK9 P50750 4/20 0.42
▸ CCNT1 O60563 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCNA1 P78396 1/20 0.35

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
SCHEMBL15212168 0.90 SYK (0.48) SYKJAK2EGFRLCKLYN
SCHEMBL15220218 0.81 SYK (0.46) SYKJAK2EGFRLCKLYN
SCHEMBL15212247 0.80 SYK (0.44) SYKJAK2EGFRLCKLYN
SCHEMBL15212398 0.79 SYK (0.51) SYKJAK2EGFRLCKLYN
SCHEMBL2103987 0.74 TRPV1 (0.51) SYKJAK2EGFRLCKLYN
SCHEMBL15220113 0.74 SYK (0.43) SYKJAK2EGFRLCKLYN
SCHEMBL12519695 0.73 PIN1 (0.54) SYKEGFRMEN1KMT2AMAPT
SCHEMBL655687 0.72 SYK (0.64) SYKJAK2EGFRLCKLYN
SCHEMBL15212509 0.72 SYK (0.47) SYKJAK2EGFRLCKLYN
SCHEMBL16408462 0.71 SYK (0.46) SYKJAK2EGFRLCKLYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817306-B1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS MERCK PATENT GMBH (DE) 2015-09-16 — — EP disclosed
EP-2817306-B1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS MERCK PATENT GMBH (DE) 2015-09-16 — — EP disclosed
US-9073944-B2 Cyclic diaminopyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-07 — — US disclosed
US-9073944-B2 Cyclic diaminopyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-07 — — US disclosed
US-20150025066-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-22 — — US disclosed
US-20150025066-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-22 — — US disclosed
EP-2817306-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-12-31 — — EP disclosed
WO-2013126132-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 — — WO disclosed
WO-2013126132-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 — — 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-20150025066-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES SYK, BTK, LYN SYK 1/4885JAK2 8/4885EGFR 929/4885

“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.