SCHEMBL15428837

SCHEMBL15428837

CC1=CCCC2CN(C)CC12

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.33
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL20384109 0.85 MAPT (0.37) SIGMAR1
SCHEMBL14594807 0.76 SIGMAR1 (0.31) SIGMAR1
SCHEMBL27397885 0.72 HRH3 (0.30) HRH3
SCHEMBL7466006 0.72 HRH3 (0.42) SIGMAR1HRH3
SCHEMBL15428838 0.71 MAPT (0.38) SIGMAR1
SCHEMBL8540903 0.68 HRH3 (0.33) HRH3
SCHEMBL14627262 0.67 SIGMAR1 (0.46) SIGMAR1
SCHEMBL14627265 0.64 ACHE (0.34)
SCHEMBL15428912 0.64
SCHEMBL14071674 0.63 SIGMAR1 (0.39) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-8633205-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 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 (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-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases PRKDC, DCK, CDK2 SIGMAR1 4677/4885HRH3 2901/4885

“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.