SCHEMBL22040918

SCHEMBL22040918

CC(C)c1cccc(-n2nccn2)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
DPP4 P27487 3/20 0.39
ANPEP P15144 2/20 0.39
GABRA1 P14867 3/20 0.36
FAAH O00519 2/20 0.36
TSHR P16473 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRB2 P47870 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL12862574 0.81 FAAH (0.48) DPP4GABRA1FAAHTSHRGABRG2
SCHEMBL19732402 0.80 GABRA1 (0.38) NOTUMDPP4GABRA1FAAHTSHR
SCHEMBL20150082 0.76 TSHR (0.38) GABRA1FAAHTSHRGABRG2GABRB3
SCHEMBL16787393 0.76 HCAR1 (0.38) CYP3A4HCRTR1HCRTR2
SCHEMBL14883121 0.75 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL14883176 0.75 DPP4 (0.42) DPP4ANPEPGABRA1FAAHTSHR
SCHEMBL16940689 0.73 GABRA1 (0.55) NOTUMDPP4ANPEPGABRA1FAAH
SCHEMBL22051475 0.72 HCRTR1 (0.33) MGLLHCRTR1HCRTR2
SCHEMBL12179271 0.71 ALK (0.46) HCRTR1HCRTR2
SCHEMBL12160694 0.71 NOTUM (0.43) NOTUMDPP4ANPEPGABRA1FAAH

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 4 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

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 NOTUM 3641/4885DPP4 3765/4885ANPEP 4374/4885
US-11053241-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOTUM 3641/4885DPP4 3765/4885ANPEP 4374/4885
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOTUM 3641/4885DPP4 3765/4885ANPEP 4374/4885

“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.