SCHEMBL4071599

SCHEMBL4071599

Cc1ccc(NC(=O)N2CCN(c3nc(N)nc4ncc(Br)cc34)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 6/20 0.58
KCNH2 Q12809 2/20 0.50
CYP3A4 P08684 1/20 0.50
PDGFRB P09619 6/20 0.49
P2RY12 Q9H244 1/20 0.47
PANK3 Q9H999 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT3 P36888 1/20 0.46
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4064302 0.85 PDGFRB (0.47) PI4KBPDGFRBP2RY12PANK3MAPT
SCHEMBL4073899 0.76 DHFR (0.36) PI4KBKDM4EALDH1A1POLB
SCHEMBL4355293 0.75 PI4KB (0.61) PI4KBCYP3A4PDGFRBP2RY12MAPT
SCHEMBL5464511 0.74 PDE4A (0.66) PI4KBKCNH2CYP3A4PDGFRB
SCHEMBL17964653 0.73 PI4KB (1.00) PI4KBKCNH2CYP3A4
SCHEMBL4413608 0.72 PDE4A (0.65) PI4KBKCNH2CYP3A4PDGFRBKIT
SCHEMBL18041170 0.71 PI4KB (0.64) PI4KBP2RY12MAPTALDH1A1SMN1; SMN2
SCHEMBL17889331 0.70 PI4KB (0.61) PI4KBKCNH2CYP3A4PDGFRBMAPT
SCHEMBL27652942 0.69 NPC1 (0.83) MAPTKDM4EALDH1A1TP53POLB
SCHEMBL26502501 0.69 PANK3 (0.75) P2RY12PANK3MAPTKDM4EALDH1A1

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-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

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 PI4KB 2034/4885KCNH2 2679/4885CYP3A4 1346/4885

“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.