SCHEMBL4064641

SCHEMBL4064641

CC(C)Oc1nc(NC(=O)C(C)(C)C)nc2ncc(-c3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
KDR P35968 1/20 0.39
ADORA1 P30542 2/20 0.37
MCHR1 Q99705 4/20 0.37
AAK1 Q2M2I8 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 2/20 0.36
PDPK1 O15530 1/20 0.36
TDO2 P48775 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PTPN11 Q06124 1/20 0.35
MAP4K4 O95819 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MAP4K1 Q92918 1/20 0.34

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 0.90 ABL1 (0.40) PIK3CAMTORADORA1MCHR1ABL1
SCHEMBL4065136 0.86 ADORA1 (0.37) ADORA1TDO2ALDH1A1MAPTMAP4K1
SCHEMBL4069457 0.85 ABL1 (0.38) KDRADORA1AAK1ABL1TDO2
SCHEMBL4063287 0.82 HDAC1 (0.43) ADORA1ADORA2AMAPT
SCHEMBL4068711 0.79 ADORA1 (0.37) ADORA1AAK1ABL1TDO2ALDH1A1
SCHEMBL4070053 0.79 PIK3CA (0.48) PIK3CAMTORMAP4K4MAP4K1
SCHEMBL4064081 0.77 CHRNA7 (0.41) PIK3CAMTORADORA1ABL1ADORA3
SCHEMBL4066056 0.68 IDO1 (0.44) AAK1TDO2
SCHEMBL4066815 0.68 ABL1 (0.43) ADORA1AAK1ABL1
SCHEMBL4064298 0.67 ABL1 (0.41) ADORA1ABL1ALDH1A1MAPT

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 8 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 claimed
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 claimed
EP-1851217-A1 SUBSTITUTED PYRIDO(2,3-D)PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2007-11-07 EP claimed
WO-2006087229-A1 SUBSTITUTED PYRIDO (2 , 3-D) PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2006-08-24 WO claimed
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
EP-1851217-A1 SUBSTITUTED PYRIDO(2,3-D)PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2007-11-07 EP disclosed
WO-2006087229-A1 SUBSTITUTED PYRIDO (2 , 3-D) PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2006-08-24 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-20080312227-A1 Substituted Pyrido(2,3-D) Pyrimidine Derivatives Useful as Medicines for the Treatment of Autoimmune Disorders PNPO, TPMT, TNF PIK3CA 1151/4885MTOR 1681/4885KDR 720/4885

“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.