SCHEMBL22040204

SCHEMBL22040204

COc1cc(-c2cn(C)nn2)ccc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.37
▸ PSEN2 P49810 3/20 0.37
▸ APH1B Q8WW43 3/20 0.37
▸ NCSTN Q92542 3/20 0.37
▸ APH1A Q96BI3 3/20 0.37
▸ PSENEN Q9NZ42 3/20 0.37
▸ MGAM O43451 5/20 0.36
▸ GAA P10253 5/20 0.36
▸ SI P14410 5/20 0.36
▸ MGAM2 Q2M2H8 5/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MET P08581 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ QPCT Q16769 1/20 0.35
▸ QPCTL Q9NXS2 1/20 0.35

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
SCHEMBL22053089 0.81 KMO (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22052731 0.79 NPC1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25589659 0.79 ALDH1A1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17806601 0.79 GSK3B (0.41) WNT1GSK3BDYRK1ABRD4
SCHEMBL26835293 0.77 BRD4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23329321 0.72 ESRRG (0.46) GAANPC1RAB9AWNT1GSK3B
SCHEMBL12427200 0.72 MEN1 (0.55) NPC1RAB9ACYP1B1NLRP3HSP90AA1
SCHEMBL24557270 0.71 LMNA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19454746 0.70 CHRNB2 (0.53) GAANPC1RAB9ACYP1B1DYRK1A
SCHEMBL21958358 0.70 TLR8 (0.56) GAANPC1RAB9AMAPT

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-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 PSEN1 3622/4885PSEN2 2463/4885APH1B 4532/4885
US-11053241-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 PSEN1 3622/4885PSEN2 2463/4885APH1B 4532/4885
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 PSEN1 3622/4885PSEN2 2463/4885APH1B 4532/4885

“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.

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