Sugi Predict

Sugi Predict / Compounds / SCHEMBL3734684

SCHEMBL3734684

SCHEMBL3734684

CN1C(N)c2ccc(-c3c(N4CCOCC4)cccc3C(F)(F)F)nc2N(OC(=O)C(F)(F)F)C1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.46
▸ AKR1C3 P42330 1/20 0.36
▸ AKT1 P31749 3/20 0.35
▸ PRKCA P17252 3/20 0.34
▸ PRKCQ Q04759 3/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ PIK3CD O00329 3/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ PIK3C2B O00750 2/20 0.33
▸ WDR5 P61964 2/20 0.33
▸ MTOR P42345 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL3729137 0.92 PTPN1 (0.38) PTPN1PRKCAPRKCQFLT3HTR2B
SCHEMBL3742939 0.91 PTPN1 (0.36) PTPN1AKR1C3
SCHEMBL3737677 0.90 HRH3 (0.38) PTPN1PRKCAPRKCQFLT3HTR2B
SCHEMBL3728966 0.89 PTPN1 (0.36) PTPN1FLT3CNR2
SCHEMBL3739294 0.88 PTPN1 (0.36) PTPN1PRKCAPRKCQFLT3HTR2B
SCHEMBL3739143 0.87 PTPN1 (0.37) PTPN1
SCHEMBL3727383 0.86 KDM4E (0.38) HTR2BUSP2PIK3CDPIK3CAPIK3CB
SCHEMBL3739264 0.86 PTPN1 (0.34) PTPN1CYP3A4
SCHEMBL3737191 0.86 CYP2C9 (0.39) PTPN1HTR2BMAPK1
SCHEMBL3739069 0.85 PTPN1 (0.31) PTPN1HTR2B

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-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 — — US disclosed
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 — — EP disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 — — US disclosed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 — — EP disclosed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 — — 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-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP PTPN1 2/4885AKR1C3 2563/4885AKT1 1427/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP PTPN1 2/4885AKR1C3 2563/4885AKT1 1427/4885

“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.