SCHEMBL4073899

SCHEMBL4073899

Cc1ccc(NC(=O)C2CNCCN2c2nc(N)nc3ncc(Br)cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PAK1 Q13153 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LIMK2 P53671 1/20 0.34
POLB P06746 1/20 0.33
CLK1 P49759 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL4071821 0.87 DYRK1A (0.33) DYRK1ADYRK1BKDM4EPAK1ALDH1A1
SCHEMBL4071599 0.76 PI4KB (0.58) PI4KBKDM4EALDH1A1POLB
SCHEMBL4062964 0.72 STK17B (0.39) DYRK1ADYRK1B
SCHEMBL5457330 0.69 NOS1 (0.53)
SCHEMBL5461836 0.69 NOS1 (0.51) ALDH1A1
SCHEMBL5463628 0.69 NOS1 (0.51) PI4KB
SCHEMBL3922088 0.67 ALDH1A1 (0.40) PI4KBKDM4EALDH1A1LIMK2POLB
SCHEMBL4063412 0.67 JAK2 (0.35)
SCHEMBL5463636 0.66 NOS1 (0.51)
SCHEMBL4116800 0.66 PI4KB (0.40) PI4KBKDM4EALDH1A1LIMK2POLB

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 DHFR 26/4885DYRK1A 377/4885DYRK1B 378/4885

“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.