SCHEMBL26835293

SCHEMBL26835293

CCc1ccc(-c2cn(C)nn2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.42
▸ NLRP3 Q96P20 2/20 0.41
▸ MET P08581 1/20 0.41
▸ PSEN1 P49768 3/20 0.40
▸ PSEN2 P49810 3/20 0.40
▸ APH1B Q8WW43 3/20 0.40
▸ NCSTN Q92542 3/20 0.40
▸ APH1A Q96BI3 3/20 0.40
▸ PSENEN Q9NZ42 3/20 0.40
▸ BRD9 Q9H8M2 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ STIM1 Q13586 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ QPCT Q16769 1/20 0.38
▸ QPCTL Q9NXS2 1/20 0.38
▸ CD74 P04233 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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) BRD4NLRP3METPSEN1PSEN2
SCHEMBL25589659 0.79 ALDH1A1 (0.56) NLRP3METPSEN1PSEN2APH1B
SCHEMBL22052731 0.79 NPC1 (0.40) BRD4NLRP3METPSEN1PSEN2
SCHEMBL22040204 0.77 PSEN1 (0.37) BRD4NLRP3METPSEN1PSEN2
SCHEMBL1629487 0.72 BRD4 (0.39) BRD4METPSEN1PSEN2APH1B
SCHEMBL15889935 0.72 PDE4A (0.47) BRD4KDM4EALDH1A1MAPT
SCHEMBL22185240 0.72 NPC1 (0.46) BRD4KDM4EALDH1A1MAPTHSP90AA1
SCHEMBL12427200 0.72 MEN1 (0.55) NLRP3HSP90AA1HSP90AB1
SCHEMBL29132951 0.70 NR1I2 (0.42) BRD4NLRP3METCD74MIF
SCHEMBL19454746 0.70 CHRNB2 (0.53) BRD4KDM4EALDH1A1MAPTSTIM1

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 1 patent. 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

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 223/4885NLRP3 995/4885MET 3604/4885

“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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