SCHEMBL4097416

SCHEMBL4097416

Nc1ccc(C(=O)Nc2ccc(Nc3cc(-c4ccncc4)ncn3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
MAPT P10636 2/20 0.63
ABL1 P00519 4/20 0.58
BCR P11274 4/20 0.58
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
APEX1 P27695 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MPL P40238 6/20 0.48
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL18340684 0.90 ABL1 (0.56) POLBMAPTABL1BCRLMNA
SCHEMBL1242053 0.90 ADORA3 (0.57) POLBMAPTABL1BCRMEN1
SCHEMBL4114258 0.89 ABL1 (0.51) POLBMAPTABL1BCRMEN1
SCHEMBL1243593 0.88 ABL1 (0.58) POLBMAPTABL1BCRMEN1
SCHEMBL1244521 0.88 CYP1A2 (0.57) POLBMAPTABL1BCRMEN1
SCHEMBL1244468 0.86 POLB (0.47) POLBMAPTABL1BCRMEN1
SCHEMBL4114071 0.85 CCNT1 (0.67) POLBMAPTABL1BCRMEN1
SCHEMBL4109084 0.85 ABL1 (0.64) ABL1BCRMEN1KMT2ASMN1; SMN2
SCHEMBL1242251 0.84 PIP4K2A (0.61) POLBMAPTABL1BCRCCNT1
SCHEMBL1244551 0.83 CCNT1 (0.50) POLBMAPTABL1BCRMEN1

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-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US claimed
US-8084457-B2 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases LEAD DISCOVERY CENTER GMBH (DE) 2011-12-27 US disclosed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-08-16 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-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases DAPK1, DUSP4, MARK4 POLB 2804/4885MAPT 215/4885ABL1 861/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 POLB 2051/4885MAPT 3014/4885ABL1 537/4885

“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.