SCHEMBL4522332

SCHEMBL4522332

Cc1cccc(C)c1-c1ccc2c(N(C)C)nc(N)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.55
SRC P12931 3/20 0.55
DHFR P00374 9/20 0.43
MAP4K4 O95819 1/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
NOS1 P29475 2/20 0.39
YES1 P07947 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4530017 0.87 HRH4 (0.43) HRH4SRCDHFRMAP4K4CYP1A2
SCHEMBL4510933 0.86 HRH4 (0.42) HRH4SRCDHFRMAP4K4CYP1A2
SCHEMBL4524257 0.86 CYP1A2 (0.53) HRH4DHFRCYP1A2CYP2D6TSHR
SCHEMBL4524936 0.85 HRH4 (0.52) HRH4SRCDHFRMAP4K4NOS1
SCHEMBL4531645 0.83 HRH4 (0.50) HRH4SRCDHFRMAP4K4NOS1
SCHEMBL4510941 0.82 DHFR (0.64) HRH4SRCDHFRMAP4K4
SCHEMBL4533460 0.77 HRH4 (0.55) HRH4SRCDHFRMAP4K4CYP1A2
SCHEMBL4519912 0.77 ADORA2A (0.45) DHFRMAP4K4MAPK1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4523782 0.76 CYP2D6 (0.44) DHFRCYP1A2CYP2D6TSHRCYP2C19
Trifluoroacetic Acid SCHEMBL4519819 0.76 HRH4 (0.43) HRH4SRCDHFRALDH1A1HPGD

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 3834/4885SRC 108/4885DHFR 2071/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 HRH4 3834/4885SRC 108/4885DHFR 2071/4885

“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.