Sugi Predict

Sugi Predict / Compounds / SCHEMBL359518

SCHEMBL359518

SCHEMBL359518

CC(Oc1nn(-c2cnn(C)c2)ccc1=O)c1ccc2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 17/20 0.52
▸ PDE3A Q14432 8/20 0.43
▸ PDE3B Q13370 3/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ PDE10A Q9Y233 2/20 0.43
▸ PDE2A O00408 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE1C Q14123 1/20 0.43
▸ PDE11A Q9HCR9 1/20 0.43
▸ CLK1 P49759 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MAP3K19 Q56UN5 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
SCHEMBL14915679 1.00 MET (0.52) METPDE3APDE3BPDE4CPDE4D
SCHEMBL14916384 0.88 MET (0.47) METPDE3APDE3BPDE4CPDE4D
SCHEMBL361252 0.85 MET (0.43) MET
SCHEMBL360422 0.85 MET (0.46) MET
SCHEMBL359990 0.84 MET (0.37) MET
SCHEMBL359822 0.84 MET (0.36) MET
SCHEMBL359556 0.83 MET (0.52) METPDE3APDE3BPDE4CPDE4D
SCHEMBL2269727 0.82 MET (0.52) METPDE3APDE3BPDE4CPDE4D
SCHEMBL10283429 0.82 MET (0.44) MET
SCHEMBL14917105 0.81 MET (0.52) METPDE3APDE3BPDE4CPDE4D

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-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 — — EP claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — WO claimed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 — — EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET MET 3/4885PDE3A 3241/4885PDE3B 2868/4885

“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.