SCHEMBL9896972

SCHEMBL9896972

Cc1cc(Br)c(OCC2CC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.36
CNR2 P34972 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
RET P07949 2/20 0.36
PDE10A Q9Y233 1/20 0.36
RIPK1 Q13546 1/20 0.36
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
SCN5A Q14524 1/20 0.34

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
SCHEMBL21957402 0.86 SCD (0.42) SCN9ACNR2HTR2AHTR2CHTR2B
SCHEMBL31027311 0.86 SCD (0.42) SCN9ACNR2HTR2AHTR2CHTR2B
SCHEMBL983574 0.83 EGFR (0.39) HTR2AHTR2CHTR2BRET
SCHEMBL20201699 0.81 PDE10A (0.40) SCN9ACNR2HTR2AHTR2CHTR2B
SCHEMBL20376455 0.81 HTR2A (0.38) SCN9ACNR2HTR2AHTR2CHTR2B
SCHEMBL24777832 0.81 SCN9A (0.49) SCN9ASCN5A
SCHEMBL15871 0.79 HTR2A (0.40) CNR2HTR2AHTR2CHTR2BRET
SCHEMBL20201733 0.77 SCN9A (0.46) SCN9ASCN5A
SCHEMBL985007 0.76 KCNH2 (0.36) SCN9ACNR2HTR2AHTR2CHTR2B
SCHEMBL18152879 0.76 SCN9A (0.46) SCN9ASCN5A

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 SCN9A 2014/4885CNR2 2377/4885HTR2A 2043/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A SCN9A 2421/4885CNR2 2118/4885HTR2A 3746/4885

“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.