SCHEMBL4990856

SCHEMBL4990856

O=C(O)c1ccc2c(NCc3ccccc3)nnc(I)c2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 9/20 0.54
CSNK2A2 P19784 3/20 0.54
CSNK2B P67870 2/20 0.54
KMT2A Q03164 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
KDM5B Q9UGL1 1/20 0.45
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
VNN1 O95497 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
RPS6KB1 P23443 1/20 0.42

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
SCHEMBL4991734 0.95 CSNK2A1 (0.51) CSNK2A1CSNK2A2CSNK2BKMT2AHPGD
SCHEMBL4990576 0.85 CSNK2A1 (0.54) CSNK2A1CSNK2A2CSNK2BKMT2AHPGD
SCHEMBL4986819 0.82 CSNK2A1 (0.51) CSNK2A1CSNK2A2CSNK2BKMT2AHPGD
SCHEMBL4997771 0.81 CSNK2A1 (0.51) CSNK2A1CSNK2A2CSNK2BKMT2AHPGD
SCHEMBL2459016 0.78 RXFP1 (0.55) KMT2AHPGDMEN1ALDH1A1HTT
SCHEMBL4987535 0.77 CSNK2A1 (0.57) CSNK2A1CSNK2A2CSNK2BKMT2AHPGD
SCHEMBL4998069 0.77 GRIN2D (0.46) HPGDALDH1A1TP53KDM5B
SCHEMBL5069647 0.74 HIF1A (0.47) KMT2AHPGDMEN1ALDH1A1TP53
SCHEMBL2459765 0.72 PPARG (0.49) KMT2AHPGDMEN1ALDH1A1TP53
SCHEMBL5141068 0.72 HDAC6 (0.41) CSNK2A1KMT2AMEN1ALDH1A1TP53

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
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 CSNK2A1 60/4885CSNK2A2 59/4885CSNK2B 114/4885

“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.