SCHEMBL4524936

SCHEMBL4524936

CCN(CC)c1nc(N)nc2cc(-c3c(C)cccc3C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.52
SRC P12931 2/20 0.51
ACP1 P24666 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DHFR P00374 5/20 0.40
MAP4K4 O95819 1/20 0.40
NOS1 P29475 3/20 0.39
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL4531645 0.90 HRH4 (0.50) HRH4SRCDHFRMAP4K4NOS1
Trifluoroacetic Acid SCHEMBL4519819 0.89 HRH4 (0.43) HRH4SRCACP1L3MBTL1DHFR
SCHEMBL4517691 0.87 DHFR (0.49) ACP1L3MBTL1DHFRNOS1NOS3
SCHEMBL4522332 0.85 HRH4 (0.55) HRH4SRCDHFRMAP4K4NOS1
Trifluoroacetic Acid SCHEMBL4517911 0.80 CRHR1 (0.43) HRH4SRCDHFRNOS1MEN1
SCHEMBL4510941 0.79 DHFR (0.64) HRH4SRCDHFRMAP4K4
Trifluoroacetic Acid SCHEMBL4533532 0.78 DHFR (0.41) ACP1L3MBTL1DHFRNOS1NOS3
SCHEMBL4521420 0.78 LCK (0.50) HRH4DHFRNOS1NOS3NOS2
SCHEMBL4511363 0.76 NLRP3 (0.61) HRH4SRCDHFR
SCHEMBL4511464 0.74 APP (0.61) HRH4SRC

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 4 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
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US 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

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 108/4885ACP1 85/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 HRH4 3834/4885SRC 108/4885ACP1 85/4885

“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.