SCHEMBL22040947

SCHEMBL22040947

CC1(C)OB(c2cccc(-c3ncco3)c2F)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
PIN1 Q13526 1/20 0.32
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ADRA1A P35348 6/20 0.32
ADRA1D P25100 4/20 0.32
JAK2 O60674 2/20 0.31
BTK Q06187 2/20 0.31
ADORA2A P29274 1/20 0.31
ADRA2A P08913 3/20 0.31
ADRA1B P35368 2/20 0.31
HPGDS O60760 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL17148999 0.78 NOTUM (0.48) BACE1BACE2
SCHEMBL2659000 0.77 KDM4E (0.35) BRD4LPLLIPGHCRTR1HCRTR2
SCHEMBL31401292 0.76 LPL (0.37) BACE1BACE2LPLLIPGJAK2
SCHEMBL2659535 0.76 LPL (0.37) BACE1BACE2LPLLIPGJAK2
SCHEMBL24630498 0.75 LPL (0.46) LPLLIPGJAK2BTK
SCHEMBL31057611 0.75 PIN1 (0.33) BRD4PIN1LPLLIPGHPGDS
SCHEMBL20968600 0.74 LIPG (0.49) LPLLIPGJAK2BTK
SCHEMBL2659046 0.73 CYP17A1 (0.40) BACE1LPLLIPG
SCHEMBL18059705 0.73 FEN1 (0.43) LPLLIPG
SCHEMBL12804460 0.73 CTSA (0.41) BRD4PIN1HCRTR1HCRTR2ADRA1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11053241-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-07-06 US disclosed
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-04 US disclosed
WO-2020112937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-06-04 WO 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 (3 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 BRD4 223/4885BACE1 4408/4885BACE2 3542/4885
US-11053241-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 BRD4 223/4885BACE1 4408/4885BACE2 3542/4885
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 BRD4 223/4885BACE1 4408/4885BACE2 3542/4885

“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.