SCHEMBL4818947

SCHEMBL4818947

COc1nc(Cl)ncc1Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
PIN1 Q13526 6/20 0.43
NFKB1 P19838 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
BTK Q06187 1/20 0.42
CDK2 P24941 1/20 0.41
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
LMNA P02545 1/20 0.41
JAK2 O60674 1/20 0.40
LRRK2 Q5S007 1/20 0.40
GAA P10253 1/20 0.40
BRD4 O60885 1/20 0.39
BPTF Q12830 1/20 0.39
KAT2B Q92831 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL3768304 0.78 EGFR (0.50) EGFRPIN1NFKB1MEN1MAPT
SCHEMBL24978034 0.76 EGFR (0.48) EGFRPIN1NFKB1MEN1MAPT
SCHEMBL16684865 0.75 PIN1 (0.54) EGFRPIN1NFKB1MEN1MAPT
SCHEMBL15670031 0.74 CA2 (0.40) NFKB1MAPTGAAAURKA
SCHEMBL23330861 0.73 PIN1 (0.51) EGFRPIN1NFKB1MEN1MAPT
SCHEMBL13949307 0.70 JAK2 (0.47) EGFRNFKB1MEN1MAPTMAPK1
SCHEMBL31263996 0.70 AURKA (0.46) MEN1MAPTMAPK1KMT2APDGFRB
SCHEMBL5259406 0.69 PIN1 (0.57) EGFRPIN1NFKB1MEN1MAPT
SCHEMBL12620325 0.69 PIN1 (0.56) PIN1MEN1KMT2ALMNAGAA
SCHEMBL8395577 0.68 EDNRA (0.58)

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-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 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 (1 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 EGFR 483/4885PIN1 648/4885NFKB1 406/4885

“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.