SCHEMBL7584725

SCHEMBL7584725

COC(=O)CN1CCC(Nc2cc3c(Nc4cccc(Cl)c4)ncnc3cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.58
EGFR P00533 13/20 0.55
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
FBP1 P09467 2/20 0.47
MEN1 O00255 1/20 0.47
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ABL1 P00519 1/20 0.47
LMNA P02545 1/20 0.47
RAF1 P04049 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
SRC P12931 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL7585812 0.93 ERBB2 (0.56) ERBB2EGFRKDM4EMAPTMAPK1
SCHEMBL7578731 0.91 EGFR (0.55) ERBB2EGFRMAPTALDH1A1HPGD
SCHEMBL7585049 0.90 EGFR (0.58) ERBB2EGFRMEN1KMT2AMKNK1
SCHEMBL7584450 0.89 ERBB2 (0.59) ERBB2EGFRMEN1KMT2A
SCHEMBL7577697 0.88 EGFR (0.59) ERBB2EGFRMAPTFBP1ALDH1A1
SCHEMBL7585204 0.85 ERBB2 (0.51) ERBB2EGFRKDM4EMAPTMAPK1
SCHEMBL7576018 0.85 ERBB2 (0.51) ERBB2EGFRKDM4EMAPTMAPK1
SCHEMBL7851398 0.85 EGFR (0.50) ERBB2EGFRMAPTMEN1ABL1
SCHEMBL7578264 0.85 EGFR (0.57) ERBB2EGFRHPGDPAK1
SCHEMBL7575632 0.83 ERBB2 (0.50) ERBB2EGFRKDM4EMAPTMAPK1

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 ERBB2 2419/4885EGFR 1041/4885KDM4E 4527/4885

“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.