SCHEMBL7587325

SCHEMBL7587325

COC(=O)CN1CCC(Nc2ccc3ncnc(Nc4cccc(C)c4)c3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
EGFR P00533 14/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
ERBB2 P04626 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SYK P43405 1/20 0.41
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL7585204 0.91 ERBB2 (0.51) MAP4K4EGFRERBB2ALDH1A1MAPT
SCHEMBL7587299 0.91 EGFR (0.55) MAP4K4EGFRERBB2
SCHEMBL7582363 0.89 EGFR (0.52) MAP4K4EGFRERBB2ALDH1A1MAPT
SCHEMBL7588633 0.88 EGFR (0.55) EGFRERBB2HPGDSYKBRAF
SCHEMBL7578731 0.85 EGFR (0.55) EGFRERBB2ALDH1A1MAPTHPGD
SCHEMBL7576275 0.85 EGFR (0.52) EGFRERBB2HPGDSYKBRAF
SCHEMBL7689040 0.83 EGFR (0.47) EGFRALDH1A1
SCHEMBL7851215 0.80 EGFR (0.44) EGFRALDH1A1SYK
SCHEMBL7576095 0.80 EGFR (0.57) EGFRERBB2HPGDSYKBRAF
SCHEMBL7852954 0.80 NOS2 (0.51) ALDH1A1BRAF

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 MAP4K4 2427/4885EGFR 1041/4885IRAK4 2978/4885

“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.