SCHEMBL4984561

SCHEMBL4984561

O=C(O)c1nc(-c2ccccn2)n(-c2cccnc2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 3/20 0.47
F2 P00734 1/20 0.44
F12 P00748 1/20 0.44
CYP2A6 P11509 1/20 0.43
GRM1 Q13255 1/20 0.41
DCTPP1 Q9H773 1/20 0.40
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
APP P05067 1/20 0.39
GAA P10253 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ESR1 P03372 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4982026 0.86 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AKDM4EHPGDHSD17B10
SCHEMBL4987010 0.85 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ACYP2A6GRM1KDM4E
SCHEMBL4988249 0.83 KMT2A (0.46) SMN1; SMN2KMT2AF2F12CYP2A6
SCHEMBL27699659 0.80 KMT2A (0.50) SMN1; SMN2KMT2AKDM4EALDH1A1LMNA
SCHEMBL23130743 0.74 KDM4E (0.47) SMN1; SMN2KMT2AKDM4EALDH1A1LMNA
SCHEMBL14470246 0.73 CYP2A6 (0.38) SMN1; SMN2KMT2AF2F12CYP2A6
SCHEMBL4984582 0.71 ATM (0.39) SMN1; SMN2KMT2AKDM4EALDH1A1ESR1
SCHEMBL12497552 0.71 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AF2F12KDM4E
SCHEMBL4989915 0.71 KMT2A (0.43) SMN1; SMN2KMT2ACYP2A6KDM4EALDH1A1
SCHEMBL4988267 0.71 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AKDM4EGAA

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
CN-101039934-A 1, 5-diheterocyclic-1H-triazole derivatives DAIICHI SEIYAKU CO (JP) 2007-09-19 CN disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R SMN1; SMN2 3713/4885KMT2A 3245/4885F2 62/4885

“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.