SCHEMBL2652799

SCHEMBL2652799

[CH2]c1nc2ccccn2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
GLA P06280 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE10A Q9Y233 11/20 0.38
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL13218523 0.74 JAK2 (0.50) JAK2JAK3CYP11B2KDM4EALDH1A1
SCHEMBL1811758 0.74 JAK2 (0.50) JAK2JAK3CYP11B2KDM4EALDH1A1
SCHEMBL29738879 0.74 JAK2 (0.55) JAK2JAK3CYP11B2KDM4EALDH1A1
SCHEMBL544142 0.74 JAK2 (0.50) JAK2JAK3CYP11B2KDM4EALDH1A1
SCHEMBL2077769 0.74 JAK2 (0.50) JAK2JAK3CYP11B2KDM4EALDH1A1
SCHEMBL25282061 0.74 JAK2 (0.50) JAK2JAK3CYP11B2KDM4EALDH1A1
SCHEMBL15827807 0.74 JAK2 (0.50) JAK2JAK3CYP11B2KDM4EALDH1A1
SCHEMBL5300653 0.74 JAK2 (0.50) JAK2JAK3CYP11B2KDM4EALDH1A1
SCHEMBL15170804 0.71 CYP11B2 (0.53) JAK2JAK3CYP11B2NPC1PDE10A
SCHEMBL2716098 0.69 JAK2 (0.46) JAK2JAK3CYP11B2KDM4EALDH1A1

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-1121361-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2007-08-29 EP disclosed
US-20030060467-A1 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-27 US disclosed
US-6476030-B1 Pyrazolo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2002-11-05 US disclosed
EP-1121361-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS Merck Sharp & Dohme Limited (GB) 2001-08-08 EP disclosed
WO-2000023449-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-04-27 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-20030060467-A1 Pyrazolo-triazine derivatives as ligands for gaba receptors GABRA5, GABRA3, GABRA4 JAK2 1206/4885JAK3 947/4885CYP11B2 1145/4885

“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.