SCHEMBL9288161

SCHEMBL9288161

Cc1nc(N)nc(C)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ERN1 O75460 1/20 0.37
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
NUDT1 P36639 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AOX1 Q06278 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM4 Q14833 1/20 0.33
PDE4B Q07343 1/20 0.31

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
SCHEMBL8285130 0.86 LMNA (0.47) ALDH1A1LMNAKDM4EERN1HPGD
SCHEMBL29954850 0.86 LMNA (0.47) ALDH1A1LMNAKDM4EERN1HPGD
SCHEMBL15429571 0.81 LMNA (0.34) ALDH1A1LMNAKDM4EERN1HPGD
SCHEMBL16479759 0.81 HEXA (0.38) ALDH1A1LMNACYP1A2NUDT1MEN1
SCHEMBL10736288 0.78 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EERN1HPGD
SCHEMBL11112327 0.75 ALDH1A1 (0.34) ALDH1A1LMNAKDM4EERN1NPSR1
SCHEMBL9284246 0.74 KDM4E (0.40) ALDH1A1LMNAKDM4EHPGDCYP1A2
SCHEMBL29958178 0.72 LMNA (0.38) LMNAMEN1KMT2ARAB9AMAPK1
SCHEMBL192661 0.70 LMNA (0.55) ALDH1A1LMNAKDM4EHPGDMEN1
SCHEMBL14032788 0.70 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EERN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE RICE KENNETH D (US) 2014-03-13 US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
WO-2012074869-A1 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-06-07 WO disclosed
WO-2012071511-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 WO disclosed
WO-2012071519-A1 BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 WO disclosed
US-20090131663-A1 PROCESS FOR PREPARING SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINES KUO SHEN-CHUN 2009-05-21 US disclosed
US-7507822-B2 Process for preparing substituted 5-amino-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidines SCHERING CORPORATION (US) 2009-03-24 US disclosed
US-20070238874-A1 Process for preparing substituted 5-amino-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidines KUO SHEN-CHUN 2007-10-11 US disclosed
US-7235659-B2 Process for preparing substituted 5-amino-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidines SCHERING CORPORATION (US) 2007-06-26 US disclosed
US-20070060744-A1 Process for the synthesis of pyrazolopyrimidines EPOCH BIOSCIENCES, INC. (US) 2007-03-15 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 (6 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-20090131663-A1 PROCESS FOR PREPARING SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINES UMPS, TYMS, PAICS ALDH1A1 832/4885LMNA 2187/4885KDM4E 715/4885
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR ALDH1A1 3330/4885LMNA 2517/4885KDM4E 223/4885
US-20070060744-A1 Process for the synthesis of pyrazolopyrimidines DPYD, PNP, UMPS ALDH1A1 1288/4885LMNA 4171/4885KDM4E 2504/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA ALDH1A1 3533/4885LMNA 2817/4885KDM4E 361/4885
US-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RPTOR, RICTOR ALDH1A1 4794/4885LMNA 1274/4885KDM4E 567/4885
US-20070238874-A1 Process for preparing substituted 5-amino-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidines UMPS, TYMS, PAICS ALDH1A1 832/4885LMNA 2187/4885KDM4E 715/4885

“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.