SCHEMBL4510933

SCHEMBL4510933

CN(C)c1nc(N)nc2cc(-c3c(F)cccc3F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
DHFR P00374 7/20 0.41
MAP4K4 O95819 1/20 0.41
SRC P12931 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4522332 0.86 HRH4 (0.55) HRH4DHFRMAP4K4SRCKDM4E
SCHEMBL4532538 0.81 DHFR (0.62) HRH4DHFRMAP4K4SRCALOX5AP
SCHEMBL4530017 0.80 HRH4 (0.43) HRH4DHFRMAP4K4SRCKDM4E
SCHEMBL4517519 0.78 PTPN1 (0.51) HRH4DHFRMAP4K4SRCALOX5AP
SCHEMBL4524257 0.76 CYP1A2 (0.53) HRH4DHFRALDH1A1CYP1A2CYP3A4
SCHEMBL4519912 0.75 ADORA2A (0.45) DHFRMAP4K4KDM4EALDH1A1ADORA2A
SCHEMBL4524134 0.74 CYP1A2 (0.57) DHFRALOX5APFEN1ALDH1A1CYP1A2
SCHEMBL4524540 0.73 DHFR (0.51) HRH4DHFRMAP4K4ALOX5APFEN1
SCHEMBL4526006 0.73 DHFR (0.51) DHFRALOX5APFEN1KDM4EALDH1A1
SCHEMBL4521369 0.72 HRH4 (0.50) HRH4DHFRSMN1; SMN2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US claimed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 HRH4 3834/4885DHFR 2071/4885MAP4K4 639/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 HRH4 3834/4885DHFR 2071/4885MAP4K4 639/4885

“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.