SCHEMBL6173402

SCHEMBL6173402

Cc1ccc(Oc2ccc(Nc3ncnc4ccc(/C=C/CNC(=O)CCO)cc34)cc2C)cn1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.84
EGFR P00533 11/20 0.84
FECH P22830 1/20 0.84
CDK8 P49336 1/20 0.84
MAP2K5 Q13163 1/20 0.84
CDK19 Q9BWU1 1/20 0.84
MKNK2 Q9HBH9 1/20 0.84
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
ERBB3 P21860 1/20 0.50
ERBB4 Q15303 1/20 0.50
KCNH2 Q12809 3/20 0.49

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
SCHEMBL6474655 1.00 ERBB2 (0.84) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6475612 0.95 ERBB2 (0.86) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173414 0.94 ERBB2 (0.86) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173407 0.94 ERBB2 (0.86) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173516 0.93 ERBB2 (0.82) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6172753 0.93 EGFR (0.72) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174373 0.92 ERBB2 (0.86) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174379 0.92 ERBB2 (0.86) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174343 0.92 ERBB2 (0.85) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174350 0.92 ERBB2 (0.85) ERBB2EGFRFECHCDK8MAP2K5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-05-11 US disclosed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP 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-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs TYR, MAPT, DDC ERBB2 862/4885EGFR 1357/4885FECH 3659/4885

“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.