SCHEMBL4519912

SCHEMBL4519912

CN(C)c1nc(N)nc2cc(-c3cccs3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
KCNH2 Q12809 1/20 0.44
DHFR P00374 9/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MAP4K4 O95819 1/20 0.40
ALK Q9UM73 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NLRP3 Q96P20 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
Trifluoroacetic Acid SCHEMBL4533787 0.90 HDAC2 (0.42) ADORA2ADHFRHDAC3HDAC1HDAC2
SCHEMBL4529864 0.83 DHFR (0.62) ADORA2AKCNH2DHFRMAP4K4ALK
SCHEMBL4533786 0.79 ADORA2A (0.45) ADORA2AKCNH2DHFRHDAC3HDAC1
SCHEMBL4522332 0.77 HRH4 (0.55) DHFRMAP4K4KDM4EALDH1A1MAPK1
SCHEMBL4510933 0.75 HRH4 (0.42) ADORA2ADHFRMAP4K4KDM4EALDH1A1
SCHEMBL4524257 0.75 CYP1A2 (0.53) ADORA2ADHFRALDH1A1MAPK1
SCHEMBL4524134 0.73 CYP1A2 (0.57) DHFRALDH1A1MAPK1TDP1
SCHEMBL4530017 0.73 HRH4 (0.43) DHFRMAP4K4KDM4EALDH1A1
SCHEMBL4524540 0.72 DHFR (0.51) DHFRMAP4K4KDM4EALDH1A1MAPK1
SCHEMBL4526006 0.72 DHFR (0.51) DHFRKDM4EALDH1A1

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 ADORA2A 2385/4885KCNH2 3854/4885DHFR 2071/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ADORA2A 2385/4885KCNH2 3854/4885DHFR 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.