SCHEMBL4069457

SCHEMBL4069457

Cc1ccc(-c2cnc3nc(NC(=O)C(C)(C)C)nc(OC(C)C)c3c2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.38
AAK1 Q2M2I8 6/20 0.37
GAK O14976 1/20 0.37
ROCK2 O75116 1/20 0.37
CHRNA1 P02708 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNA7 P36544 1/20 0.37
NR2C2 P49116 1/20 0.37
TAB1 Q15750 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
ADORA1 P30542 1/20 0.37
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
LCK P06239 1/20 0.33
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK14 Q16539 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
SCHEMBL4069139 0.87 ABL1 (0.40) ABL1ADORA1GRIN2BCTPS1CLK2
SCHEMBL4065136 0.85 ADORA1 (0.37) ADORA1IDO1TDO2MAPK9CTPS1
SCHEMBL4064641 0.85 PIK3CA (0.39) ABL1AAK1ADORA1TDO2KDR
SCHEMBL4063287 0.80 HDAC1 (0.43) ADORA1
SCHEMBL4068711 0.80 ADORA1 (0.37) ABL1AAK1ADORA1IDO1TDO2
SCHEMBL4069464 0.77 PIK3CA (0.47) ABL1MAPK14
SCHEMBL4064081 0.73 CHRNA7 (0.41) ABL1CHRNA7ADORA1CLK2CLK3
SCHEMBL4066056 0.71 IDO1 (0.44) AAK1IDO1TDO2DYRK1A
SCHEMBL4069106 0.69 PIK3CA (0.45) AAK1GAK
SCHEMBL4065231 0.67 EGFR (0.49) AAK1GAKIDO1TDO2DYRK1A

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
EP-1851217-B1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2009-02-11 EP disclosed
US-20080312227-A1 Substituted Pyrido(2,3-D) Pyrimidine Derivatives Useful as Medicines for the Treatment of Autoimmune Disorders 4 AZA BIOSCIENCE NV (BE) 2008-12-18 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-20080312227-A1 Substituted Pyrido(2,3-D) Pyrimidine Derivatives Useful as Medicines for the Treatment of Autoimmune Disorders PNPO, TPMT, TNF ABL1 2460/4885AAK1 2063/4885GAK 1115/4885

“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.