SCHEMBL4996128

SCHEMBL4996128

CNc1nnc(C#N)c2ccc(C(=O)O)cc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.39
SLC22A12 Q96S37 1/20 0.37
CSNK2A1 P68400 8/20 0.36
ACE2 Q9BYF1 1/20 0.35
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL4991481 0.94 SLC22A12 (0.40) HCAR3SLC22A12CSNK2A1ACE2CSNK2A2
SCHEMBL4991719 0.78 HCAR3 (0.41) HCAR3SLC22A12CSNK2A1ACE2CSNK2A2
SCHEMBL4986882 0.78 SLC22A12 (0.37) HCAR3SLC22A12CSNK2A1ACE2HPGD
SCHEMBL4991914 0.75 HCAR3 (0.41) HCAR3SLC22A12CSNK2A1ACE2CSNK2A2
SCHEMBL4991745 0.75 SLC22A12 (0.40) HCAR3SLC22A12CSNK2A1ACE2CSNK2A2
SCHEMBL4997771 0.75 CSNK2A1 (0.51) CSNK2A1CSNK2A2CSNK2BHPGDKDM4E
SCHEMBL27185319 0.70 HCAR3 (0.49) HCAR3CSNK2A1ACE2CSNK2A2CSNK2B
SCHEMBL26988652 0.65 HCAR3 (0.51) HCAR3HPGDKDM4EALDH1A1THRB
SCHEMBL1758985 0.65 MAP2K4 (0.47) SLC22A12HPGDKDM4EALDH1A1THRB
SCHEMBL2671627 0.65 AAK1 (0.52)

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 HCAR3 1955/4885SLC22A12 4433/4885CSNK2A1 60/4885

“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.