SCHEMBL6071540

SCHEMBL6071540

O=C(O)c1cn(-c2ccnnc2)nn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
ESRRA P11474 1/20 0.41
NOTUM Q6P988 1/20 0.41
SPR P35270 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL4708257 0.81 MAOA (0.49) ESRRANOTUMSPRCA1CA2
SCHEMBL71218 0.79 ESRRA (0.47) HCAR2ESRRANOTUMSPRCA1
SCHEMBL69876 0.78 ESRRA (0.62) ESRRANOTUMSPRCA1CA2
SCHEMBL28801446 0.76 ESRRA (0.60) ESRRANOTUMSPRCA1CA2
SCHEMBL12571550 0.75 HCAR2 (0.43) HCAR2
SCHEMBL31162164 0.75 DDX3X (0.44) CA1CA2CA4CA9
SCHEMBL27877288 0.75 ESRRA (0.57) ESRRACA1CA2CA4CA9
SCHEMBL2330243 0.73 CA1 (0.57) ESRRANOTUMCA1CA2CA4
SCHEMBL11902351 0.73 CA1 (0.57) ESRRANOTUMCA1CA2CA4
SCHEMBL3477570 0.73 CA1 (0.57) ESRRANOTUMCA1CA2CA4

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 HCAR2 274/4885ESRRA 1985/4885NOTUM 4194/4885

“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.