SCHEMBL22053014

SCHEMBL22053014

Fc1c(Br)cccc1-c1ncco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
HPGDS O60760 1/20 0.37
ADRA1A P35348 6/20 0.36
ADRA1D P25100 4/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LTA4H P09960 1/20 0.36
ADRA2A P08913 3/20 0.35
ADRA1B P35368 2/20 0.35
ADORA2A P29274 2/20 0.35
PIN1 Q13526 1/20 0.35
CYP1B1 Q16678 1/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
EGFR P00533 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL12804460 0.82 CTSA (0.41) BRD4HPGDSADRA1AADRA1DHCRTR1
SCHEMBL4739891 0.82 BRD4 (0.45) BRD4HPGDSADRA1AADRA1DLTA4H
SCHEMBL7573578 0.77 ADRA1A (0.36) BRD4HPGDSADRA1AADRA1DHCRTR1
SCHEMBL16114986 0.76 HCRTR1 (0.38) BRD4HPGDSHCRTR1HCRTR2LTA4H
SCHEMBL22041213 0.76 BRD4 (0.38) BRD4HPGDSADRA1AADRA1DHCRTR1
SCHEMBL26259967 0.75 BRD4 (0.53) BRD4HPGDSADRA1AADRA1DHCRTR1
SCHEMBL1919495 0.75 HPGDS (0.52) BRD4HPGDSADRA1AADRA1DLTA4H
SCHEMBL3980022 0.74 NOTUM (0.52) BRD4HPGDSADRA1AADRA1DLTA4H
SCHEMBL17148986 0.72 NOTUM (0.59)
SCHEMBL31039212 0.72 ADRA1A (0.47) BRD4HPGDSADRA1AADRA1DHCRTR1

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 3 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
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 (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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 BRD4 223/4885HPGDS 3521/4885ADRA1A 4611/4885

“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.