SCHEMBL9224408

SCHEMBL9224408

Cn1nc(Br)nc1CNc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ PSEN1 P49768 1/20 0.50
▸ PSEN2 P49810 1/20 0.50
▸ APH1B Q8WW43 1/20 0.50
▸ NCSTN Q92542 1/20 0.50
▸ APH1A Q96BI3 1/20 0.50
▸ PSENEN Q9NZ42 1/20 0.50
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ IDH2 P48735 3/20 0.43
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ BCDIN3D Q7Z5W3 2/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL14680354 0.73 LMNA (0.60) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL9227213 0.73 TSHR (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6406472 0.72 LMNA (0.52) LMNAGAAMAPTKDM4EBRD4
SCHEMBL6915245 0.70 KDM4E (0.48) LMNAMAPTKDM4EBRD4SMN1; SMN2
SCHEMBL10055021 0.70 NPSR1 (0.55) LMNAGAAMAPTKDM4EBRD4
SCHEMBL30490047 0.68 LMNA (0.53) LMNAGAAMAPTL3MBTL1IDH2
SCHEMBL16241281 0.68 KIF11 (0.51) LMNAGAAMAPTKDM4EBRD4
SCHEMBL42000 0.68 LMNA (0.53) LMNAGAAMAPTL3MBTL1IDH2
SCHEMBL5605032 0.68 MAPT (0.62) LMNAGAAMAPTIDH2SMN1; SMN2
SCHEMBL6232265 0.67 LMNA (0.63) LMNAGAAMAPTL3MBTL1IDH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 — — US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 — — US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 — — US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 — — US disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 — — WO 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A LMNA 1691/4885PSEN1 5/4885PSEN2 10/4885

“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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