SCHEMBL4101878

SCHEMBL4101878

Nc1ccc(C(=O)Nc2ccc(Nc3cc(Cl)ncn3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.57
ERBB3 P21860 3/20 0.57
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
APEX1 P27695 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 1/20 0.56
DNMT1 P26358 2/20 0.50
DNMT3L Q9UJW3 1/20 0.50
DNMT3A Q9Y6K1 1/20 0.50
PRMT1 Q99873 1/20 0.49
NPC1 O15118 2/20 0.49
PTGS1 P23219 2/20 0.48
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 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
SCHEMBL4663995 0.85 NPC1 (0.64) EGFRERBB3POLBMEN1KMT2A
SCHEMBL5670452 0.81 NPC1 (0.56) EGFRERBB3MAPTPRMT1NPC1
SCHEMBL4109552 0.81 MPL (0.52) EGFRERBB3POLBMEN1LMNA
SCHEMBL1242053 0.81 ADORA3 (0.57) EGFRERBB3POLBMEN1LMNA
SCHEMBL4097416 0.80 POLB (0.63) EGFRERBB3POLBMEN1LMNA
SCHEMBL4114258 0.80 ABL1 (0.51) EGFRERBB3POLBMEN1LMNA
SCHEMBL4872523 0.79 NPC1 (0.57) EGFRERBB3POLBNPC1RAB9A
SCHEMBL1243788 0.79 NPC1 (0.57) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL1244521 0.79 CYP1A2 (0.57) EGFRERBB3POLBMEN1LMNA
SCHEMBL4114071 0.79 CCNT1 (0.67) POLBMEN1LMNAPKMAPEX1

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 6 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-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
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 EGFR 2475/4885ERBB3 830/4885POLB 2804/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 EGFR 4439/4885ERBB3 3605/4885POLB 2051/4885

“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.