SCHEMBL6846207

SCHEMBL6846207

CCS(=O)(=O)CCNCc1nc(-c2ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.59
ERBB2 P04626 12/20 0.55
MEN1 O00255 2/20 0.55
MAPK1 P28482 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
FECH P22830 1/20 0.48
CDK8 P49336 1/20 0.48
MAP2K5 Q13163 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ERBB3 P21860 1/20 0.47
ERBB4 Q15303 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
SCHEMBL4468668 0.94 EGFR (0.67) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL216565 0.84 EGFR (0.55) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL2736365 0.80 EGFR (0.50) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL216405 0.80 EGFR (0.50) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4475255 0.79 EGFR (0.65) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL216406 0.77 EGFR (0.50) EGFRERBB2HDAC1HDAC6FECH
SCHEMBL2099768 0.77 EGFR (0.84) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4011172 0.77 EGFR (0.89) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4010606 0.77 EGFR (0.76) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL5506580 0.75 EGFR (0.54) EGFRERBB2HDAC1HDAC6FECH

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-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth PFIZER INC 2004-12-02 US claimed

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-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth CCNA1, CCNT1, CCNY EGFR 166/4885ERBB2 1183/4885MEN1 213/4885

“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.