SCHEMBL2489892

SCHEMBL2489892

C#Cc1ccc(-c2ccnc(C)c2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.45
PSEN1 P49768 5/20 0.45
PSEN2 P49810 5/20 0.45
APH1B Q8WW43 5/20 0.45
NCSTN Q92542 5/20 0.45
APH1A Q96BI3 5/20 0.45
PSENEN Q9NZ42 5/20 0.45
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
PIM1 P11309 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MTOR P42345 2/20 0.39
GAK O14976 1/20 0.38
EGFR P00533 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
PDE4D Q08499 1/20 0.37
PDE10A Q9Y233 1/20 0.37
WNT3A P56704 2/20 0.37

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
SCHEMBL16503921 0.82 MTOR (0.42) DYRK1APIM1DYRK2DYRK1BMTOR
SCHEMBL12516813 0.80 DYRK1A (0.51) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL29637091 0.78 DYRK1A (0.49) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL7896922 0.78 DYRK1A (0.49) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL1492639 0.78 DYRK1A (0.49) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL6915415 0.78 DYRK1A (0.49) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL11919644 0.75 WNT3A (0.54) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL11308138 0.75 CYP1A1 (0.46) CYP3A4CYP2D6CYP1A1CYP1A2CYP2E1
SCHEMBL2516529 0.75 DYRK1A (0.56) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL2489888 0.74 ALDH1A1 (0.50) DYRK1APSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313001-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE FISCHER CHRISTIAN (US) 2011-12-22 US disclosed
US-20110313001-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE FISCHER CHRISTIAN (US) 2011-12-22 US disclosed
EP-2379075-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
WO-2010077582-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-07-08 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-20110313001-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP DYRK1A 1171/4885PSEN1 5/4885PSEN2 4/4885

“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.