SCHEMBL3973396

SCHEMBL3973396

COc1cc2nc(-c3ccc(Br)cc3)nc(NCCN(C)C)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.56
RAD52 P43351 3/20 0.54
POLB P06746 3/20 0.54
SMARCA2 P51531 1/20 0.54
WHR1 P49842 1/20 0.53
KDM1A O60341 4/20 0.51
RCOR1 Q9UKL0 3/20 0.51
EHMT2 Q96KQ7 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ACP1 P24666 1/20 0.49
KMT5A Q9NQR1 2/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
SLC2A1 P11166 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3977037 0.89 POLB (0.53) TLR9POLBWHR1KDM1ARCOR1
SCHEMBL3974654 0.85 ACP1 (0.54) TLR9RAD52POLBWHR1KDM1A
SCHEMBL3974464 0.85 POLB (0.57) TLR9RAD52POLBKDM1ARCOR1
SCHEMBL3973275 0.81 RAD52 (0.69) TLR9RAD52POLBSMARCA2RXFP1
SCHEMBL3971156 0.81 POLB (0.60) TLR9RAD52POLBSMARCA2ACP1
SCHEMBL3972117 0.80 MEN1 (0.62) WHR1RXFP1ALDH1A1MAPK1KDM4E
SCHEMBL7268662 0.79 RAD52 (0.51) TLR9RAD52POLBSMARCA2WHR1
SCHEMBL3980668 0.79 PGK1 (0.60) TLR9WHR1ACP1ALDH1A1MAPK1
SCHEMBL3976872 0.79 MEN1 (0.55) TLR9WHR1ALDH1A1MAPK1KDM4E
SCHEMBL3975863 0.79 KDM1A (0.49) RAD52POLBWHR1KDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 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 (1 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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 TLR9 4215/4885RAD52 4288/4885POLB 4723/4885

“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.