SCHEMBL21571867

SCHEMBL21571867

COc1cncc(NC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.46
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
MKNK2 Q9HBH9 2/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKACA P17612 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
NTRK3 Q16288 1/20 0.39
PKN2 Q16513 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ULK1 O75385 1/20 0.39
ULK2 Q8IYT8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 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
SCHEMBL21571868 0.86 SLC22A12 (0.42) SLC22A12CYP11B1CYP11B2MKNK2ROCK2
SCHEMBL8312695 0.78 ALDH1A1 (0.46) SLC22A12CYP11B1CYP11B2MKNK2ROCK2
SCHEMBL12403827 0.77 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2C9CYP1A1CYP1B1
SCHEMBL22421831 0.77 DYRK1A (0.42) SLC22A12CYP11B1CYP11B2MKNK2ROCK2
SCHEMBL22421832 0.76 CYP11B1 (0.44) SLC22A12CYP11B1CYP11B2MKNK2ROCK2
SCHEMBL26328401 0.76 SLC22A12 (0.41) SLC22A12CYP11B1CYP11B2MKNK2ROCK2
SCHEMBL25145152 0.75 PDK1 (0.51) SLC22A12DYRK1ACYP1A2CYP2C9SCN10A
Hydrochloric Acid SCHEMBL29418006 0.74 SLC22A12 (0.40) SLC22A12CYP11B1CYP11B2MKNK2ROCK2
Hydrochloric Acid SCHEMBL25239818 0.74 SLC22A12 (0.40) SLC22A12CYP11B1CYP11B2MKNK2ROCK2
SCHEMBL23148020 0.74 NPC1 (0.50) SLC22A12MKNK2SCN10AALDH1A1GRM5

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-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-11-19 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-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses TYK2, IL2, JAK3 SLC22A12 3315/4885CYP11B1 848/4885CYP11B2 445/4885

“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.