SCHEMBL6985493

SCHEMBL6985493

COc1cc(C(=O)NNC(=O)c2ccc(Nc3nc(-c4ccccc4)n(-c4ccccc4)n3)cc2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ FLT3 P36888 3/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAPT P10636 2/20 0.49
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ SMO Q99835 1/20 0.45
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44

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
SCHEMBL6985957 0.91 FLT3 (0.53) FLT3MEN1KMT2AMAPTPOLB
SCHEMBL6986065 0.87 CA2 (0.55) KMT2AMAPTPOLBTP53CA1
SCHEMBL6983588 0.86 TP53 (0.54) SMN1; SMN2POLBLMNATP53CA1
SCHEMBL6988260 0.85 NPC1 (0.55) SMN1; SMN2MEN1KMT2AMAPTPOLB
SCHEMBL6983551 0.83 TP53 (0.47) SMN1; SMN2POLBLMNATP53CA1
SCHEMBL6984385 0.82 TP53 (0.48) SMN1; SMN2POLBHSD17B10LMNATP53
SCHEMBL6986284 0.82 TP53 (0.50) SMN1; SMN2MEN1KMT2AMAPTPOLB
SCHEMBL6984940 0.82 POLB (0.56) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL6983194 0.81 TP53 (0.47) SMN1; SMN2MAPTPOLBHSD17B10LMNA
SCHEMBL6987680 0.81 MAPT (0.48) SMN1; SMN2KMT2AMAPTLMNATP53

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
US-6596749-B2 Neuropeptide y receptor ligand LES LABORATOIRES SERVIER (FR) 2003-07-22 — — US disclosed
EP-1044970-B1 Aminotriazole compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-15 — — EP disclosed
US-20010018522-A1 Aminotriazole compounds LES LABORATOIRES SERVIER (FR) 2001-08-30 — — US disclosed
US-6245916-B1 USEFUL AS NEUROPEPTIDE Y RECEPTOR LIGANDS, ANXIOLYTIC AGENTS, SEDATIVES, AND VASOCONSTRICTORS ADIR ET COMPAGNIE (FR) 2001-06-12 — — US disclosed
EP-1044970-A1 Aminotriazole compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-10-18 — — 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-20010018522-A1 Aminotriazole compounds NPY1R, NPY2R, NPY4R SMN1; SMN2 4459/4885FLT3 407/4885MEN1 1626/4885

“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.

Send feedback