SCHEMBL21186254

SCHEMBL21186254

CCCCC(C)(CCC)c1cc(C)c(C)nn1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL19297891 0.75 ESR1 (0.31) ESR1ESR2
SCHEMBL22065130 0.70 SMN1; SMN2 (0.33)
SCHEMBL21720386 0.70 ESR1 (0.30) ESR1ESR2
SCHEMBL22624088 0.67 FAAH (0.34)
SCHEMBL21720638 0.67
SCHEMBL21720343 0.67 ALDH1A1 (0.33)
SCHEMBL21554005 0.67 ESR1 (0.33) ESR1ESR2
SCHEMBL21720569 0.66
SCHEMBL21720384 0.66
SCHEMBL21794041 0.66 SMN1; SMN2 (0.34) ESR1ESR2

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-10836770-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or INF alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
US-20190225620-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2019-07-25 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 (2 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-20190225620-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, IFNAR1 ESR1 4755/4885ESR2 1856/4885
US-10836770-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or INF alpha responses TYK2, IL2, IFNAR1 ESR1 4358/4885ESR2 1682/4885

“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.