SCHEMBL2459912

SCHEMBL2459912

CNCc1cnc2c(c1)OCCN2C

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.60
CYP11B2 P19099 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.37
PIK3CD O00329 2/20 0.36
PDE10A Q9Y233 1/20 0.36
CACNA2D1 P54289 2/20 0.35

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
SCHEMBL12526123 0.84 GRM5 (0.64) GRM5CYP11B2IRAK4PDE10A
SCHEMBL18291839 0.82 GRM5 (0.62) GRM5CYP11B2IRAK4PDE10A
SCHEMBL23111145 0.82 GRM5 (0.62) GRM5CYP11B2IRAK4PDE10A
SCHEMBL21863669 0.78 GRM5 (0.53) GRM5CYP11B2IRAK4
SCHEMBL15889737 0.76 GRM5 (0.65) GRM5CYP11B2IRAK4PDE10A
SCHEMBL46326 0.75 GRM5 (0.57) GRM5CYP11B2IRAK4
SCHEMBL15520747 0.74 GRM5 (0.56) GRM5CYP11B2IRAK4
SCHEMBL1053384 0.74 GRM5 (0.56) GRM5CYP11B2IRAK4
SCHEMBL2398608 0.74 GRM5 (0.56) GRM5CYP11B2IRAK4
SCHEMBL18307164 0.74 GRM5 (0.56) GRM5CYP11B2IRAK4

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 GRM5 730/4885CYP11B2 2167/4885IRAK4 1004/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 GRM5 730/4885CYP11B2 2167/4885IRAK4 1004/4885

“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.