SCHEMBL20697174

SCHEMBL20697174

CC(C)Nc1cc(F)cc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
PIK3CB P42338 4/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
GRM4 Q14833 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.31
MAPK14 Q16539 1/20 0.31
KCNH3 Q9ULD8 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
SCHEMBL21571862 0.80 SMN1; SMN2 (0.41) CES2CES1GRM4MAPK14
SCHEMBL6283513 0.80 NPC1 (0.32)
SCHEMBL12890516 0.79 ADRB2 (0.39)
SCHEMBL21571840 0.76 LMNA (0.34) MAPK14
SCHEMBL1638888 0.75 CES2 (0.38) CES2CES1GRM4RAPGEF4MAPK14
SCHEMBL12273863 0.75 RAPGEF4 (0.43) RAPGEF4MAPK14KCNH3
SCHEMBL14017807 0.74 MAPT (0.39) PIK3CBMAPK14KCNH3
SCHEMBL7742493 0.74 HTT (0.46)
SCHEMBL20149222 0.72 ADRB2 (0.35)
SCHEMBL24455459 0.70 CES2 (0.38) CES2CES1GRM4RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174264-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-11-16 US disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
EP-3377496-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2020-09-16 EP disclosed
WO-2020154474-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-07-30 WO disclosed
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 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 (5 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-11174264-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CES2 4714/4885CES1 4201/4885PIK3CB 638/4885
US-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CES2 4714/4885CES1 4201/4885PIK3CB 638/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CES2 4714/4885CES1 4201/4885PIK3CB 638/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CES2 4714/4885CES1 4201/4885PIK3CB 638/4885
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CES2 4714/4885CES1 4201/4885PIK3CB 638/4885

“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.