Sugi Predict

Sugi Predict / Compounds / SCHEMBL1093531

SCHEMBL1093531

SCHEMBL1093531

O=[N+]([O-])c1cccc(C(O)c2c[nH]c3ncncc23)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.36
▸ MET P08581 1/20 0.35
▸ CLK1 P49759 3/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NOS1 P29475 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL3709680 0.82 CDC7 (0.36) CDC7CCNT1CCNE1CDK2CDK9
SCHEMBL3709679 0.80 RPS6KB1 (0.37) EGFRCDC7CCNT1CCNE1CDK2
SCHEMBL1093899 0.77 CYP2C9 (0.41) EGFRMETMAPK13MAPK12MAPK11
SCHEMBL4558157 0.73 RAB9A (0.37) EGFRMETKMT2AALDH1A1
SCHEMBL287645 0.73 CYP2C9 (0.47) EGFRCLK1
SCHEMBL287887 0.73 CYP2C19 (0.45) KMT2A
SCHEMBL26696336 0.72 MET (0.55) METPOLBKMT2AALDH1A1NCOA1
SCHEMBL1085903 0.71 RPS6KA5 (0.40) EGFRMETCLK1NOS1DYRK1A
SCHEMBL4362614 0.70 SLC22A12 (0.44) KMT2AALDH1A1
SCHEMBL3700075 0.69 CDC7 (0.34) CDC7CCNT1CCNE1CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153641-B2 Pyrrolo(2,3-d)pyrimidine kinase inhibitors; melanoma, colorectal cancer, pain, polycystic kidney disease and other Raf protein kinase related conditions; e.g. Propane-1-sulfonic acid[3-(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluoro-phenyl]-amide; Raf kinases including B-raf, A-raf PLEXXIKON INC. (US) 2012-04-10 — — US disclosed
WO-2009143024-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 — — WO disclosed
US-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 — — 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-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, PRKACA, RAF1 EGFR 373/4885MET 190/4885CLK1 444/4885

“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.