SCHEMBL9895570

SCHEMBL9895570

OC1CC(OCc2ccccc2)CC1F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
SLC18A3 Q16572 2/20 0.43
NAAA Q02083 2/20 0.41

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
SCHEMBL9895571 1.00 CTSL (0.44) CTSLCTSBCTSKSLC18A3NAAA
SCHEMBL9898051 1.00 CTSL (0.44) CTSLCTSBCTSKSLC18A3NAAA
SCHEMBL743121 0.88 CTSL (0.50) CTSLCTSBCTSKSLC18A3NAAA
SCHEMBL2413105 0.88 CTSL (0.50) CTSLCTSBCTSKSLC18A3NAAA
SCHEMBL8427873 0.88 CTSL (0.50) CTSLCTSBCTSKSLC18A3NAAA
SCHEMBL743122 0.88 CTSL (0.50) CTSLCTSBCTSKSLC18A3NAAA
SCHEMBL2410089 0.88 CTSL (0.50) CTSLCTSBCTSKSLC18A3NAAA
SCHEMBL2413107 0.88 CTSL (0.50) CTSLCTSBCTSKSLC18A3NAAA
SCHEMBL743123 0.88 CTSL (0.50) CTSLCTSBCTSKSLC18A3NAAA
SCHEMBL2773404 0.87 SLC18A3 (0.50) SLC18A3

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 CTSL 2367/4885CTSB 3259/4885CTSK 3411/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CTSL 1378/4885CTSB 2797/4885CTSK 3201/4885

“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.