SCHEMBL20249332

SCHEMBL20249332

CN(C)[C@@H]1CCN(c2ccc(C(C)(C)C)nn2)C[C@@H]1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.37
HRH3 Q9Y5N1 3/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
SLC6A9 P48067 1/20 0.32
CDK4 P11802 3/20 0.31
CDK6 Q00534 3/20 0.31
MAP4K4 O95819 1/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 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
SCHEMBL20249328 1.00 HRH4 (0.37) HRH4HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL18291514 0.82 MAP4K4 (0.37) HRH4HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL20249333 0.82 HRH4 (0.44) HRH4HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL18291186 0.82 OGA (0.34) CHRNB2CHRNB4CHRNA3CHRNA4GSK3B
SCHEMBL18291518 0.82 MAP4K4 (0.37) HRH4HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL20249335 0.82 HRH4 (0.44) HRH4HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL20249327 0.82 HRH4 (0.39) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20249322 0.82 HRH4 (0.39) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20249337 0.80 HRH4 (0.40) HRH4HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL20249316 0.80 HRH4 (0.40) HRH4HRH3CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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 (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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 HRH4 1763/4885HRH3 2304/4885CHRNB2 4863/4885

“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.