SCHEMBL21165735

SCHEMBL21165735

Cn1c(-c2cccc(Cl)c2)c(-c2ccnc(Cl)n2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.39
KMO O15229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
EGFR P00533 2/20 0.38
TGFBR1 P36897 2/20 0.38
GAA P10253 1/20 0.38
TEK Q02763 1/20 0.37
EIF2AK2 P19525 1/20 0.37
NR1I3 Q14994 1/20 0.37
PLK1 P53350 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HCRTR1 O43613 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MAP4K4 O95819 1/20 0.36
CYP11B2 P19099 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL30337199 0.89 TEK (0.46) KMT2AEGFRTEKMAPTCYP11B2
SCHEMBL17384806 0.89 TEK (0.46) KMT2AEGFRTEKMAPTCYP11B2
SCHEMBL17384819 0.86 EGFR (0.48) EGFRTEKKDM4EHCRTR1MAPT
SCHEMBL30337202 0.77 ALDH1A1 (0.39) KMT2AGAAEIF2AK2PLK1KDM4E
SCHEMBL17822333 0.77 ALDH1A1 (0.39) KMT2AGAAEIF2AK2PLK1KDM4E
SCHEMBL17384807 0.77 EGFR (0.53) KMT2AKMOEGFR
SCHEMBL31119010 0.73 KMO (0.62) KMOPLK1MAPTMAP4K4
SCHEMBL443718 0.73 KMO (0.62) KMOPLK1MAPTMAP4K4
SCHEMBL19103283 0.73 EGFR (0.41) KMT2AEGFRGAATEKCYP11B2
SCHEMBL14652762 0.70 KDM4E (0.41) KMT2AKMOPLK1KDM4EMAPT

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-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2019-07-18 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-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 KMT2A 1587/4885CASP3 2618/4885KMO 987/4885

“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.