SCHEMBL9896982

SCHEMBL9896982

CC(C)(C)[Si](OC1CCC(NC(=O)O)C(F)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.35
▸ SSTR4 P31391 8/20 0.33
▸ SSTR1 P30872 3/20 0.33
▸ S1PR5 Q9H228 3/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.31

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
SCHEMBL9896984 1.00 BACE1 (0.35) BACE1SSTR4SSTR1S1PR5KDM1A
SCHEMBL16224095 1.00 BACE1 (0.35) BACE1SSTR4SSTR1S1PR5KDM1A
SCHEMBL19857404 0.85 KDM1A (0.34) BACE1SSTR4SSTR1S1PR5KDM1A
SCHEMBL4356106 0.82 KDM1A (0.43) KDM1AMAOB
SCHEMBL4356105 0.82 KDM1A (0.43) KDM1AMAOB
SCHEMBL30565037 0.82 S1PR5 (0.33) BACE1S1PR5KDM1AMAOB
SCHEMBL14631539 0.80 BACE1 (0.38) BACE1SSTR4KDM1AMAOB
SCHEMBL9896637 0.80 BACE1 (0.34) BACE1
SCHEMBL9897710 0.80 BACE1 (0.34) BACE1
SCHEMBL9898143 0.80 BACE1 (0.34) BACE1

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-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 — — US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 — — US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 — — US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 — — EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 — — 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 (2 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A BACE1 2397/4885SSTR4 1201/4885SSTR1 2283/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A BACE1 3953/4885SSTR4 1650/4885SSTR1 2964/4885

“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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