SCHEMBL4778121

SCHEMBL4778121

CC(C)(C)c1cccc(Nc2cc[c]cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
TNNI3K Q59H18 1/20 0.51
GRM4 Q14833 1/20 0.44
THRB P10828 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
TYK2 P29597 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNK18 Q7Z418 1/20 0.40
MAPT P10636 2/20 0.40
AURKA O14965 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 1/20 0.39
GAA P10253 1/20 0.39
BRAF P15056 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL29408383 0.78 GRM4 (0.52) EGFRTNNI3KGRM4THRBABCG2
SCHEMBL28416838 0.78 GRM4 (0.52) EGFRTNNI3KGRM4THRBABCG2
SCHEMBL71629 0.77 MAPT (0.47) TNNI3KABCG2MAPTAURKAKDM4E
SCHEMBL21625856 0.76 KIF11 (0.54) EGFRTNNI3KGRM4ABCG2KCNK18
SCHEMBL29514710 0.76 KIF11 (0.54) EGFRTNNI3KGRM4ABCG2KCNK18
SCHEMBL22265306 0.74 EGFR (0.47) EGFRTNNI3KGRM4THRBABCG2
SCHEMBL4779023 0.74 ABCG2 (0.48) EGFRGRM4ABCG2MAPT
SCHEMBL18997089 0.72 GRM4 (0.56) EGFRTNNI3KGRM4ABCG2KCNK18
SCHEMBL22225354 0.71 KIF11 (0.50) EGFRTNNI3KGRM4ABCG2KCNK18
SCHEMBL3398439 0.71 ALDH1A1 (0.60) EGFRTNNI3KGRM4ABCG2KCNK18

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A EGFR 4431/4885TNNI3K 3406/4885GRM4 2252/4885

“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.