SCHEMBL12230652

SCHEMBL12230652

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NCEH1 Q6PIU2 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ERN1 O75460 3/20 0.37
LRRK2 Q5S007 1/20 0.37
RARG P13631 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL12230655 0.91 TLR8 (0.38) ALDH1A1HPGDSMN1; SMN2NCEH1TLR8
SCHEMBL12230654 0.91 TLR8 (0.38) ALDH1A1HPGDSMN1; SMN2NCEH1TLR8
SCHEMBL4998069 0.78 GRIN2D (0.46) ALDH1A1HPGDKDM4ETP53TDP1
SCHEMBL12230649 0.77 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2NCEH1TLR8
SCHEMBL4990591 0.74 CSNK2A1 (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4988304 0.74 CSNK2A1 (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL1004649 0.70 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2CYP3A4LMNA
SCHEMBL18931064 0.69 ERN1 (0.49) ALDH1A1HPGDSMN1; SMN2CYP1A2ERN1
SCHEMBL3818058 0.69 MTOR (0.47) ALDH1A1HPGDSMN1; SMN2NCEH1LMNA
SCHEMBL4993170 0.69 TPMT (0.44) ALDH1A1HPGDSMN1; SMN2KDM4ETP53

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
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 US disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 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 (2 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 ALDH1A1 3613/4885HPGD 2226/4885SMN1; SMN2 4449/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 ALDH1A1 3613/4885HPGD 2226/4885SMN1; SMN2 4449/4885

“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.