SCHEMBL6071987

SCHEMBL6071987

c1cc(-n2ccnn2)cnn1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 17/20 0.53
KEAP1 Q14145 1/20 0.47
CYP19A1 P11511 1/20 0.42

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
SCHEMBL10447781 0.79 NOTUM (0.78) NOTUMKEAP1CYP19A1
SCHEMBL4808980 0.77 NOTUM (0.63) NOTUMKEAP1CYP19A1
SCHEMBL1188176 0.76 NOTUM (0.52) NOTUMKEAP1CYP19A1
SCHEMBL4803886 0.75 NOTUM (0.53) NOTUMKEAP1CYP19A1
Hydrochloric Acid SCHEMBL9293653 0.74 NOTUM (0.51) NOTUMKEAP1
SCHEMBL75570 0.73 NOTUM (0.63) NOTUMKEAP1CYP19A1
SCHEMBL29701202 0.72 NOTUM (0.52) NOTUM
SCHEMBL1163413 0.72 NOTUM (0.61) NOTUMKEAP1CYP19A1
SCHEMBL20409464 0.72 NOTUM (0.61) NOTUMKEAP1CYP19A1
SCHEMBL29800355 0.71 NOTUM (0.53) NOTUMKEAP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 NOTUM 4194/4885KEAP1 1536/4885CYP19A1 2652/4885

“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.