SCHEMBL25857376

SCHEMBL25857376

CCOc1cncc(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA7 P36544 1/20 0.42
CCR6 P51684 1/20 0.41
CCR9 P51686 1/20 0.38
NQO1 P15559 1/20 0.38
AOC3 Q16853 1/20 0.36

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
SCHEMBL19879597 0.83 MAPK1 (0.47) CYP11B1CYP11B2CHRNB2CHRNA4CHRNB4
SCHEMBL3819558 0.81 CYP11B1 (0.51) CYP11B1CYP11B2CHRNB2CHRNA4CHRNB4
SCHEMBL14005150 0.80 AKT1 (0.48) CHRNB2CHRNA4
SCHEMBL14005606 0.79 CA12 (0.36)
SCHEMBL24768968 0.79 HDAC6 (0.33) CCR6
SCHEMBL14004898 0.79 KMT2A (0.36) CHRNB2CHRNA4
SCHEMBL14004847 0.79 AKT1 (0.42)
SCHEMBL14004852 0.79 AKT1 (0.42)
SCHEMBL14005638 0.79 AKT1 (0.42)
SCHEMBL91426 0.78 CYP1A1 (0.42) CYP11B1CYP11B2CHRNB2CHRNA4CCR6

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-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 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-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 CYP11B1 53/4885CYP11B2 51/4885CHRNB2 2227/4885

“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.