SCHEMBL6000829

SCHEMBL6000829

CCc1ccc(-c2nc3c(N4CCN(CCOc5ccc(NC(=O)NCc6ccccc6)cc5)CC4)cccc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.57
KDR P35968 3/20 0.47
FLT3 P36888 3/20 0.47
AURKA O14965 2/20 0.47
PARP1 P09874 2/20 0.47
DHODH Q02127 1/20 0.47
DRD3 P35462 4/20 0.45
DRD2 P14416 3/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL5513777 0.93 GNRHR (0.55) GNRHRAURKAPARP1DHODHDRD3
SCHEMBL5506661 0.93 GNRHR (0.59) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5512568 0.93 GNRHR (0.63) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5504658 0.91 GNRHR (0.58) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5511248 0.91 GNRHR (0.63) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5510258 0.91 GNRHR (0.59) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5505140 0.90 GNRHR (0.57) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5513781 0.90 GNRHR (0.57) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5517209 0.90 GNRHR (0.57) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5508544 0.90 GNRHR (0.57) GNRHRAURKAPARP1DHODHDRD3

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-20060111355-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-05-25 US claimed
US-20060111355-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-05-25 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-20060111355-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, LHCGR, GHRHR GNRHR 1/4885KDR 952/4885FLT3 1185/4885

“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.