SCHEMBL3729137

SCHEMBL3729137

CN1CCN(c2cccc(C(F)(F)F)c2-c2ccc3c(n2)N(OC(=O)C(F)(F)F)C(N)N(C)C3N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.38
SCN9A Q15858 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK9 P50750 1/20 0.33
CDK6 Q00534 1/20 0.33
CDK11A Q9UQ88 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
RBP4 P02753 2/20 0.33
SRPK1 Q96SB4 1/20 0.33
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MAPK1 P28482 2/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 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
SCHEMBL3742939 0.93 PTPN1 (0.36) PTPN1CCNT1CDK4CCND1CDK9
SCHEMBL3737677 0.93 HRH3 (0.38) PTPN1RBP4HTR2BDPP4DPP7
SCHEMBL3728966 0.92 PTPN1 (0.36) PTPN1HTR1ARBP4HTR2AHTR2C
SCHEMBL3734684 0.92 PTPN1 (0.46) PTPN1SCN9AHTR2BMAPK1SCN5A
SCHEMBL3729830 0.91 PTPN1 (0.34) PTPN1HRH4CCNT1CDK4CCND1
SCHEMBL3739294 0.91 PTPN1 (0.36) PTPN1HTR2BKMT2ADPP4DPP7
SCHEMBL3739143 0.90 PTPN1 (0.37) PTPN1KMT2ADPP4DPP7KCNH2
SCHEMBL3739264 0.89 PTPN1 (0.34) PTPN1HTR2AMAPTDPP4DPP7
SCHEMBL3737191 0.87 CYP2C9 (0.39) PTPN1HTR2BMAPK1LMNAMAPT
SCHEMBL3739069 0.87 PTPN1 (0.31) PTPN1HTR2BHTR2AHTR2C

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-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP claimed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 EP claimed
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 claimed
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
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 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 (3 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 2/4885SCN9A 2235/4885HRH4 4498/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP PTPN1 2/4885SCN9A 2235/4885HRH4 4498/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP PTPN1 2/4885SCN9A 2235/4885HRH4 4498/4885

“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.