SCHEMBL4098444

SCHEMBL4098444

Nc1ccc(C(=O)Nc2ccc(Nc3cc(-c4cccs4)ncn3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GFER P55789 1/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL4761623 0.90 EGFR (0.53) MAPTMEN1KMT2AHDAC1HDAC2
SCHEMBL1242053 0.82 ADORA3 (0.57) POLBMAPTMEN1KMT2ALMNA
SCHEMBL1243627 0.82 IKBKB (0.49) POLBMAPTMEN1KMT2ALMNA
SCHEMBL4097416 0.81 POLB (0.63) POLBMAPTMEN1KMT2ALMNA
SCHEMBL1244468 0.81 POLB (0.47) POLBMAPTMEN1KMT2ALMNA
SCHEMBL1244521 0.81 CYP1A2 (0.57) POLBMAPTMEN1KMT2ALMNA
SCHEMBL4114071 0.81 CCNT1 (0.67) POLBMAPTMEN1KMT2ALMNA
SCHEMBL4109070 0.80 PIP4K2C (0.50) POLBMAPTMEN1KMT2ALMNA
SCHEMBL4114258 0.79 ABL1 (0.51) POLBMAPTMEN1KMT2ALMNA
SCHEMBL1242251 0.79 PIP4K2A (0.61) POLBMAPTCYP1A2CYP3A4CYP2C19

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 215/4885MEN1 3957/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 POLB 2051/4885MAPT 3014/4885MEN1 3961/4885

“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.