SCHEMBL5954597

SCHEMBL5954597

CN(C)Cc1nccc(Oc2cccc3ccn(C)c23)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.35
▸ PIM1 P11309 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5954538 0.79 CHKA (0.38) HTR7HTR1BKDM4E
SCHEMBL5953991 0.77 CYP2D6 (0.39) KDM4E
SCHEMBL5954410 0.77 CCR4 (0.43) KDM4E
SCHEMBL5954423 0.73 ALDH1A1 (0.46) KDM4E
SCHEMBL5953966 0.72 ACHE (0.42) —
SCHEMBL5118491 0.70 ALDH1A1 (0.37) HTR7KDM4E
SCHEMBL5954527 0.68 IKBKB (0.46) —
SCHEMBL12251441 0.68 L3MBTL1 (0.41) KDM4E
SCHEMBL5111007 0.68 HTR7 (0.43) HTR7KDM4E
SCHEMBL5954407 0.68 ACHE (0.46) KDM4E

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-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 — — US claimed

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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 HTR7 2704/4885PIM1 1665/4885PIM2 3121/4885

“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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