SCHEMBL21571884

SCHEMBL21571884

CC(C)(C)c1cccc(-c2ccc(C(F)(F)F)cc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.56
AKR1C2 P52895 5/20 0.56
APP P05067 1/20 0.49
ALOX5AP P20292 6/20 0.45
FEN1 P39748 5/20 0.45
KIF11 P52732 2/20 0.44
MAOB P27338 1/20 0.41
HSD11B1 P28845 1/20 0.41
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
MPL P40238 1/20 0.40

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
SCHEMBL25581911 0.93 KIF11 (0.49) AKR1C3AKR1C2APPALOX5APKIF11
SCHEMBL10064833 0.87 AKR1C3 (0.46) AKR1C3AKR1C2KIF11MAOBPRMT3
SCHEMBL25094071 0.82 KIF11 (0.60) KIF11MAOB
SCHEMBL22421796 0.82 AKR1C3 (0.50) AKR1C3AKR1C2APPALOX5APFEN1
SCHEMBL11989284 0.81 APP (0.51) AKR1C3AKR1C2APPALOX5AP
SCHEMBL12050566 0.80 SCD (0.49) AKR1C3AKR1C2KIF11
SCHEMBL5121382 0.79 APP (0.57) AKR1C3AKR1C2APPALOX5APFEN1
SCHEMBL20557329 0.79 TSHR (0.56) AKR1C3AKR1C2APPALOX5APFEN1
SCHEMBL2573330 0.79 TSHR (0.56) AKR1C3AKR1C2ALOX5APFEN1MAOB
SCHEMBL24721249 0.78 AKR1C3 (0.56) AKR1C3AKR1C2APPALOX5APFEN1

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 AKR1C3 4455/4885AKR1C2 4167/4885APP 4816/4885

“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.