SCHEMBL7576095

SCHEMBL7576095

COC(=O)CCN1CCC(Nc2ncc3ncnc(Nc4cccc(C)c4)c3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.57
ERBB2 P04626 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
BRAF P15056 4/20 0.50
SYK P43405 4/20 0.46
KCNH2 Q12809 3/20 0.44
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
AURKB Q96GD4 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL7588633 0.92 EGFR (0.55) EGFRERBB2HPGDHTTBRAF
SCHEMBL7597366 0.91 EGFR (0.57) EGFRERBB2HPGDHTTBRAF
SCHEMBL7576275 0.89 EGFR (0.52) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316697 0.86 EGFR (0.58) EGFRERBB2HPGDHTTBRAF
SCHEMBL7578158 0.85 EGFR (0.74) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315128 0.85 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL8313532 0.85 EGFR (0.56) EGFRERBB2HPGDHTTBRAF
SCHEMBL7587438 0.84 EGFR (0.52) EGFRERBB2HPGDHTTBRAF
SCHEMBL8318765 0.84 EGFR (0.61) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315160 0.84 EGFR (0.60) EGFRERBB2HPGDHTTBRAF

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.