SCHEMBL4990591

SCHEMBL4990591

CN(C)c1nnc(I)c2ccc(C(=O)O)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2C Q14957 1/20 0.38
ACE2 Q9BYF1 4/20 0.37
HCAR3 P49019 2/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
TPMT P51580 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
ESR2 Q92731 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 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
SCHEMBL4988304 0.94 CSNK2A1 (0.38) CSNK2A1GRIN2DGRIN2AGRIN2CACE2
SCHEMBL4998069 0.84 GRIN2D (0.46) GRIN2DGRIN2AGRIN2CACE2HCAR3
SCHEMBL4993691 0.82 TSHR (0.40) CSNK2A1ACE2HCAR3KDM4EALDH1A1
SCHEMBL4990282 0.79 TSHR (0.40) CSNK2A1ACE2HCAR3KDM4EALDH1A1
SCHEMBL4986882 0.78 SLC22A12 (0.37) CSNK2A1ACE2HCAR3KDM4EALDH1A1
SCHEMBL4993170 0.78 TPMT (0.44) GRIN2DGRIN2AGRIN2CACE2KDM4E
SCHEMBL4993200 0.76 CA1 (0.44) GRIN2DGRIN2AGRIN2CACE2KDM4E
SCHEMBL4991745 0.75 SLC22A12 (0.40) CSNK2A1ACE2HCAR3KDM4EALDH1A1
SCHEMBL4990631 0.74 TPMT (0.44) GRIN2DGRIN2AGRIN2CACE2KDM4E
SCHEMBL12230652 0.74 ALDH1A1 (0.42) KDM4EALDH1A1HPGDTDP1MEN1

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 4 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 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 60/4885GRIN2D 2117/4885GRIN2A 1047/4885

“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.