SCHEMBL21376005

SCHEMBL21376005

CCc1cccc(-c2ccon2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
P2RX3 P56373 4/20 0.35
DGAT2 Q96PD7 1/20 0.35
TYK2 P29597 1/20 0.34
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
DRD2 P14416 1/20 0.32
TLR8 Q9NR97 2/20 0.31
POLB P06746 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
SCHEMBL28222979 0.80 CYP2D6 (0.39) RAB9ATP53CYP1A2CYP2D6CYP19A1
SCHEMBL20155670 0.77 RAB9A (0.37) RAB9ATP53NPC1CYP1A2CYP2D6
SCHEMBL20150114 0.76 NPC1 (0.40) RAB9ATP53NPC1CYP1A2CYP2D6
SCHEMBL20155669 0.75 IMPDH2 (0.37) RAB9ANPC1GABRA1GABRB2DRD2
SCHEMBL20230857 0.75 TUBB4A (0.36) RAB9ATP53NPC1GABRA1GABRB2
SCHEMBL20230841 0.74 CASP6 (0.33) RAB9ANPC1GABRA1GABRB2DRD2
SCHEMBL21375829 0.74 ADRA2A (0.34) RAB9ATP53CYP1A2CYP2D6CYP2C9
SCHEMBL24026469 0.73 TYK2 (0.39) GABRA1GABRB2TYK2DRD2ALDH1A1
SCHEMBL17198955 0.73 TYK2 (0.40) CYP19A1TYK2DRD2TLR8
SCHEMBL20155993 0.73 ADRA2A (0.33) RAB9ATP53NPC1CYP1A2CYP2D6

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-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-29 US disclosed
US-10793574-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-10-06 US disclosed
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 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 (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-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 RAB9A 3462/4885TP53 2843/4885NPC1 4595/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 RAB9A 3462/4885TP53 2843/4885NPC1 4595/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 RAB9A 3462/4885TP53 2843/4885NPC1 4595/4885

“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.