SCHEMBL3046559

SCHEMBL3046559

O=C1NCc2c(Oc3ccccc3)ccc(-c3cc4cc(C(=O)N5CCNCC5)ccc4[nH]3)c21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.56
MGLL Q99685 2/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
AURKA O14965 7/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CDK1 P06493 1/20 0.39
BTK Q06187 2/20 0.38
RIPK1 Q13546 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
Hydrochloric Acid SCHEMBL3043780 0.87 KDR (0.54) KDRMGLLAURKACDK1RIPK1
SCHEMBL3043900 0.87 KDR (0.60) KDRMGLLF2F10PLG
SCHEMBL3161670 0.86 KDR (0.52) KDRMGLLAURKAADORA2AADORA1
SCHEMBL3044216 0.84 KDR (0.58) KDRMGLLAURKAADORA2AADORA1
SCHEMBL3040051 0.83 KDR (0.57) KDRMGLLAURKAADORA2AADORA1
SCHEMBL3051099 0.81 KDR (0.54) KDRMGLLAURKAADORA2AADORA1
SCHEMBL3043843 0.81 KDR (0.54) KDRMGLLAURKAADORA2AADORA1
SCHEMBL3048102 0.78 ADORA2A (0.36) KDRADORA2AADORA1SIGMAR1MAPK14
SCHEMBL3142187 0.78 KDR (0.49) KDRMGLLAURKACDK1RIPK1
SCHEMBL3048227 0.76 CHEK1 (0.49) KDRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 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 (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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 KDR 3226/4885MGLL 4519/4885F2 3935/4885

“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.