SCHEMBL13612189

SCHEMBL13612189

C#CCN(CCOc1cccc(NC)c1C(=N)Nc1ccc(CCc2ccccn2)c(Cl)c1)C(=O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 1/20 0.41
STK3 Q13188 1/20 0.41
ERBB2 P04626 6/20 0.39
EGFR P00533 5/20 0.39
MAOB P27338 2/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOA P21397 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
GRM4 Q14833 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL13612032 0.83 ERBB2 (0.45) STK4STK3ERBB2EGFR
SCHEMBL13612030 0.81 EGFR (0.52) STK4STK3ERBB2EGFR
SCHEMBL13612242 0.81 ERBB2 (0.52) STK4STK3ERBB2EGFRGRM4
SCHEMBL13611886 0.80 EGFR (0.50) ERBB2EGFR
SCHEMBL13605184 0.78 ERBB2 (0.64) ERBB2EGFR
SCHEMBL13611880 0.75 ERBB2 (0.46) STK3ERBB2EGFR
SCHEMBL13612198 0.74 EGFR (0.49) ERBB2EGFR
SCHEMBL13612247 0.74 EGFR (0.45) ERBB2EGFR
SCHEMBL13612635 0.71 ERBB2 (0.50) ERBB2EGFR
SCHEMBL13612617 0.70 ERBB2 (0.45) STK3ERBB2EGFR

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-7625908-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20070244136-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-10-18 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-20070244136-A1 Quinazoline Derivatives ERBB2, ABL1, MKI67 STK4 260/4885STK3 181/4885ERBB2 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.