SCHEMBL3975155

SCHEMBL3975155

CN(C)CCCN(C)c1nc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 1/20 0.41
SYK P43405 1/20 0.40
TSHR P16473 1/20 0.39
FLT3 P36888 5/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KIF11 P52732 2/20 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
SCHEMBL3972075 0.91 ADORA3 (0.52) POLBADORA3MEN1KMT2ALATS1
SCHEMBL3975242 0.87 RAD52 (0.45) POLBKMT2ALATS1LATS2SYK
SCHEMBL3974313 0.82 PDE5A (0.60) POLBADORA3CYP1A2CYP2D6MEN1
SCHEMBL3975863 0.81 KDM1A (0.49) POLBKMT2ALATS1LATS2SYK
SCHEMBL3971156 0.78 POLB (0.60) POLBFLT3MAPK1
SCHEMBL3978935 0.78 LATS1 (0.52) POLBADORA3LATS1LATS2MAPK1
SCHEMBL3974463 0.76 HTR3A (0.48) POLBADORA3MEN1KMT2ATSHR
SCHEMBL3972857 0.76 NPC1 (0.50) ADORA3CYP1A2MEN1KMT2ANPC1
SCHEMBL3977126 0.74 GBA1 (0.49) POLBADORA3MEN1KMT2ATSHR
SCHEMBL3972107 0.72 LATS1 (0.50) LATS1LATS2MAPK1HTT

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 POLB 4723/4885ADORA3 448/4885CYP1A2 1472/4885

“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.