SCHEMBL7586964

SCHEMBL7586964

COC(=O)CN1CCC(CCNc2ncc3ncnc(Nc4cccc(C)c4)c3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.60
SYK P43405 3/20 0.42
ZAP70 P43403 1/20 0.42
KCNH2 Q12809 1/20 0.42
AURKB Q96GD4 1/20 0.42
BRAF P15056 2/20 0.42

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
SCHEMBL7583405 0.92 EGFR (0.59) EGFRSYK
SCHEMBL7584441 0.92 EGFR (0.49) EGFRBRAF
SCHEMBL7583456 0.90 EGFR (0.48) EGFR
SCHEMBL7578986 0.89 EGFR (0.73) EGFRSYKZAP70KCNH2AURKB
SCHEMBL7578794 0.88 EGFR (0.66) EGFRBRAF
SCHEMBL7588633 0.87 EGFR (0.55) EGFRSYKKCNH2AURKBBRAF
SCHEMBL7575499 0.87 EGFR (0.49) EGFRBRAF
SCHEMBL7585329 0.86 EGFR (0.56) EGFRSYKKCNH2AURKBBRAF
SCHEMBL7576275 0.85 EGFR (0.52) EGFRSYKKCNH2AURKBBRAF
SCHEMBL7587438 0.81 EGFR (0.52) EGFRSYKKCNH2AURKBBRAF

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 1041/4885SYK 2974/4885ZAP70 4186/4885

“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.