SCHEMBL6326992

SCHEMBL6326992

NCCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.50
AURKB Q96GD4 9/20 0.48
KDM4E B2RXH2 2/20 0.46
AURKA O14965 1/20 0.45
KMT2A Q03164 2/20 0.44
HIF1A Q16665 1/20 0.44
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AR P10275 4/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL6327167 0.95 PRMT5 (0.51) PRMT5AURKBKDM4EAURKAKMT2A
SCHEMBL6788778 0.79 ATM (0.46) PRMT5AURKBKDM4EKMT2AATM
SCHEMBL6327874 0.78 AURKB (0.50) AURKBKDM4EKMT2AHIF1AAR
SCHEMBL6448886 0.78 SYK (0.44) PARP1
SCHEMBL5076368 0.78 PARP1 (0.45) PARP1
Hydrochloric Acid SCHEMBL6782312 0.78 ATM (0.44) PRMT5AURKBKDM4EKMT2AATM
SCHEMBL6332425 0.77 CHEK1 (0.42) PRMT5AURKBKDM4EAURKAKMT2A
SCHEMBL28658822 0.76 AURKB (0.63) PRMT5AURKBKDM4E
SCHEMBL6448206 0.76 AURKB (0.48) AURKBKDM4EKMT2APARP1MEN1
SCHEMBL6788688 0.76 ATM (0.49) PRMT5AURKBKDM4EKMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 PRMT5 1011/4885AURKB 57/4885KDM4E 360/4885

“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.