SCHEMBL9973626

SCHEMBL9973626

CC(C)/C=N/NC(=O)CC#N

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.59
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.47
MCL1 Q07820 3/20 0.45
LDHA P00338 1/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
RCE1 Q9Y256 1/20 0.43
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL6979326 0.80
SCHEMBL21466271 0.76 THRB (0.68) THRBALDH1A1KDM4EMAPTKMT2A
SCHEMBL18704269 0.75 THRB (0.66) THRBALDH1A1KDM4EMAPTKMT2A
SCHEMBL15248069 0.72 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTMCL1LDHA
SCHEMBL9973625 0.72 THRB (0.61) THRBALDH1A1KDM4EMAPTKMT2A
SCHEMBL13906382 0.69 SMN1; SMN2 (0.43) ALDH1A1KDM4EMAPTMCL1KMT2A
SCHEMBL14938491 0.69
SCHEMBL21300744 0.69
SCHEMBL20143283 0.69
SCHEMBL14938490 0.69

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-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 THRB 314/4885ALDH1A1 4593/4885KDM4E 2805/4885

“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.