SCHEMBL2736374

SCHEMBL2736374

Cc1ccc(Oc2ccc(C(C)C)cc2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.46
EGFR P00533 4/20 0.46
ERBB3 P21860 1/20 0.46
ERBB4 Q15303 1/20 0.46
KCNH2 Q12809 3/20 0.40
KMT2A Q03164 2/20 0.38
MAP4K4 O95819 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL2736376 0.85 MPO (0.42) ERBB2EGFRERBB3ERBB4KMT2A
SCHEMBL11961092 0.81 ERBB2 (0.49) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL6961006 0.78 ERBB2 (0.54) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL4798131 0.78 ERBB2 (0.47) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL215985 0.78 ERBB2 (0.50) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL23625170 0.78 LMNA (0.50) KMT2ALMNAMEN1ALDH1A1TRPA1
SCHEMBL22184958 0.78 NPBWR1 (0.43) KMT2ALMNAMEN1ALDH1A1TRPA1
SCHEMBL13026431 0.77 LMNA (0.42) LMNAALDH1A1TRPA1PTGS1CACNA1C
SCHEMBL12851559 0.77 ERBB2 (0.46) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL26343466 0.77 KDM4E (0.42) KMT2ALMNAMEN1TGFBR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124483-B2 HER3 ligands and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200223799-A1 HER3 LIGANDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-16 US disclosed
US-8088766-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA INC. (US) 2012-01-03 US disclosed
US-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-01-08 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 (3 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-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ERBB2, GRB2, EGFR ERBB2 1/4885EGFR 3/4885ERBB3 5/4885
US-11124483-B2 HER3 ligands and uses thereof ERBB3, ERBB2, EGFR ERBB2 2/4885EGFR 3/4885ERBB3 1/4885
US-20200223799-A1 HER3 LIGANDS AND USES THEREOF ERBB3, ERBB2, EGFR ERBB2 2/4885EGFR 3/4885ERBB3 1/4885

“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.