SCHEMBL7578960

SCHEMBL7578960

COC(=O)CN1CCC(N2CCC(Nc3ncc4ncnc(Nc5cccc(Cl)c5)c4n3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.53
ERBB2 P04626 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
CSNK2A1 P68400 2/20 0.46
CSNK2B P67870 2/20 0.46
CSNK2A2 P19784 1/20 0.46
BRAF P15056 4/20 0.43
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
PAK1 Q13153 1/20 0.41
CDK1 P06493 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PDGFRA P16234 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 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
SCHEMBL7578264 0.95 EGFR (0.57) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7588582 0.93 EGFR (0.54) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7583461 0.89 EGFR (0.51) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7576152 0.88 EGFR (0.51) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7597366 0.88 EGFR (0.57) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7588633 0.87 EGFR (0.55) EGFRERBB2HPGDHTTBRAF
SCHEMBL7581230 0.87 EGFR (0.50) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7575509 0.86 EGFR (0.56) EGFRERBB2HPGDHTTBRAF
SCHEMBL7585168 0.85 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7574942 0.84 EGFR (0.51) EGFRERBB2HPGDHTTCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 EGFR 1041/4885ERBB2 2419/4885HPGD 173/4885

“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.