SCHEMBL14764776

SCHEMBL14764776

Cc1nc2ccccc2n2c(-c3ccccc3)nnc12

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.70
PDE2A O00408 14/20 0.65
PDE10A Q9Y233 11/20 0.65
MAOA P21397 2/20 0.63
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL14765203 0.86 MAOA (0.67) TYMSPDE2APDE10AMAOAKDM4E
SCHEMBL17356919 0.85 PDE2A (0.62) TYMSPDE2APDE10A
SCHEMBL10847181 0.83 TYMS (1.00) TYMSPDE2APDE10AMAOAKDM4E
SCHEMBL14359766 0.82 PDE2A (0.58) TYMSPDE2APDE10AKDM4EALDH1A1
SCHEMBL14359717 0.80 PDE2A (0.62) PDE2APDE10AMAOA
SCHEMBL14359691 0.80 PDE2A (0.76) PDE2APDE10AMAOA
SCHEMBL14362116 0.80 PDE2A (0.76) TYMSPDE2APDE10A
SCHEMBL12502454 0.79 PDE2A (0.71) PDE2APDE10A
SCHEMBL12502893 0.79 PDE2A (1.00) PDE2APDE10AMAOA
SCHEMBL12502142 0.79 PDE2A (1.00) PDE2APDE10A

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
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO claimed
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 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-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A TYMS 1183/4885PDE2A 1/4885PDE10A 10/4885

“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.