SCHEMBL7585329

SCHEMBL7585329

CCOC(=O)CN1CCC(CNc2ncc3ncnc(Nc4cccc(C)c4)c3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.56
KHK P50053 1/20 0.46
SYK P43405 4/20 0.42
KCNH2 Q12809 3/20 0.42
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
AURKB Q96GD4 1/20 0.42
GRIN2B Q13224 1/20 0.41
BRAF P15056 1/20 0.41
HPGD P15428 1/20 0.41
CSNK2A1 P68400 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
SCHEMBL7578338 0.92 EGFR (0.47) EGFRBRAFHPGDCSNK2A1
SCHEMBL7578814 0.92 EGFR (0.54) EGFR
SCHEMBL7578341 0.90 CSNK2A1 (0.52) EGFRCSNK2A1
SCHEMBL7586964 0.86 EGFR (0.60) EGFRSYKKCNH2AURKBBRAF
SCHEMBL7585306 0.83 EGFR (0.56) EGFRBRAFHPGD
SCHEMBL7588633 0.83 EGFR (0.55) EGFRSYKKCNH2MAPK3MAPK1
SCHEMBL8317556 0.82 EGFR (0.67) EGFRKHKSYKKCNH2MAPK3
SCHEMBL7578986 0.81 EGFR (0.73) EGFRSYKKCNH2AURKBBRAF
SCHEMBL7853933 0.80 EGFR (0.49) EGFRGRIN2B
SCHEMBL7576275 0.80 EGFR (0.52) EGFRSYKKCNH2MAPK3MAPK1

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 1041/4885KHK 4113/4885SYK 2974/4885

“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.