SCHEMBL4992884

SCHEMBL4992884

O=C(O)c1ccc2c(O)nnc(-c3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CSNK2A2 P19784 3/20 0.49
CSNK2B P67870 3/20 0.49
EGFR P00533 1/20 0.46
IP6K1 Q92551 3/20 0.46
IP6K3 Q96PC2 3/20 0.46
IP6K2 Q9UHH9 3/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAP2K4 P45985 2/20 0.44
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMO O15229 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
SCHEMBL2457419 0.83 TSHR (0.50) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL4990697 0.81 KDM4E (0.52) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL4995199 0.80 L3MBTL1 (0.55) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL7664718 0.77 NPSR1 (0.49) ALDH1A1GAAMAPTDHODHPDE10A
SCHEMBL4995278 0.76 TSHR (0.44) ALDH1A1KDM4EGAACSNK2A2CSNK2B
SCHEMBL4990631 0.76 TPMT (0.44) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL9907710 0.73 HTR5A (0.52) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL9907716 0.73 PLAU (0.52) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL4993170 0.72 TPMT (0.44) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL4987522 0.72 TSHR (0.48) ALDH1A1KDM4EGAACSNK2A2CSNK2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3613/4885NPC1 2569/4885RAB9A 3930/4885

“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.