SCHEMBL559789

SCHEMBL559789

CNC(=O)c1cc(C)c2cnc(NC3CCC(O)CC3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.41
MAP4K1 Q92918 3/20 0.40
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
EGFR P00533 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
MAPK7 Q13164 4/20 0.39
HCAR3 P49019 2/20 0.39
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
CCNT1 O60563 2/20 0.38
MAPK14 Q16539 1/20 0.38
PIP5K1C O60331 1/20 0.38
HPGDS O60760 1/20 0.38
SYK P43405 1/20 0.36

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
SCHEMBL559788 1.00 BRD4 (0.41) BRD4MAP4K1PDGFRBPDGFRAEGFR
SCHEMBL559504 0.84 MAPK1 (0.39) BRD4MAP4K1HCAR3MAPK3MAPK1
SCHEMBL559067 0.83 MAPK8 (0.48) BRD4LCKCCNT1HPGDS
SCHEMBL10206025 0.83 MAPK8 (0.48) BRD4LCKCCNT1HPGDS
SCHEMBL558632 0.83 MAPK8 (0.48) BRD4LCKCCNT1HPGDS
SCHEMBL558983 0.73 HCAR3 (0.43) HCAR3MAPK1CCNT1
SCHEMBL14391805 0.72 PSMD14 (0.41) BRD4MAP4K1HPGDS
SCHEMBL12378876 0.71 MAPK14 (0.49) BRD4PDGFRBPDGFRAEGFRINSR
SCHEMBL12678701 0.70 HCAR3 (0.69) HCAR3MAPK3MAPK1SYK
SCHEMBL559821 0.69 MAPK1 (0.45) MAPK1HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 BRD4 911/4885MAP4K1 29/4885PDGFRB 1845/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 BRD4 911/4885MAP4K1 29/4885PDGFRB 1845/4885

“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.