SCHEMBL559770

SCHEMBL559770

Cc1ccc(OC2CCCC2)c2cc(N[C@H]3CC[C@H](O)CC3)ncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
LCK P06239 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
BRD4 O60885 5/20 0.38
MAPK7 Q13164 5/20 0.38
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNT1 O60563 5/20 0.37
ABL1 P00519 1/20 0.36
PDE10A Q9Y233 1/20 0.36
FLT3 P36888 2/20 0.36
TYRO3 Q06418 2/20 0.36
MERTK Q12866 2/20 0.36
GAS6 Q14393 2/20 0.36
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35

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
SCHEMBL2257661 1.00 EGFR (0.41) EGFRINSRLCKPDGFRBPDGFRA
SCHEMBL10166195 1.00 EGFR (0.41) EGFRINSRLCKPDGFRBPDGFRA
SCHEMBL559771 1.00 EGFR (0.41) EGFRINSRLCKPDGFRBPDGFRA
SCHEMBL558106 0.83 KDM4E (0.34) PDGFRBPDGFRABRD4KDM4EALDH1A1
SCHEMBL14391671 0.74 PDE4A (0.39) PDGFRBPDGFRA
SCHEMBL12378876 0.68 MAPK14 (0.49) EGFRINSRLCKPDGFRBPDGFRA
SCHEMBL12030297 0.66 HCAR3 (0.54) EGFRINSRLCKPDGFRBPDGFRA
SCHEMBL2634045 0.66 HCAR3 (0.54) EGFRINSRLCKPDGFRBPDGFRA
SCHEMBL7698244 0.64 ALDH1A1 (0.71) EGFRINSRLCKPDGFRBPDGFRA
SCHEMBL2259848 0.64 PDGFRB (0.54) EGFRINSRLCKPDGFRBPDGFRA

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 EGFR 455/4885INSR 45/4885LCK 101/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 EGFR 455/4885INSR 45/4885LCK 101/4885

“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.