SCHEMBL20249335

SCHEMBL20249335

CC(C)(C)c1ccc(N2CC[C@@H](N)[C@@H](F)C2)nn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.44
PTPN11 Q06124 7/20 0.37
HRH3 Q9Y5N1 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
DPP4 P27487 2/20 0.33
DPP9 Q86TI2 2/20 0.33
KCNH2 Q12809 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL20249333 1.00 HRH4 (0.44) HRH4PTPN11HRH3CHRNB2CHRNB4
SCHEMBL20249322 0.84 HRH4 (0.39) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20249327 0.84 HRH4 (0.39) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18291191 0.83 PTPN11 (0.39) PTPN11CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20249316 0.82 HRH4 (0.40) HRH4HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL20249337 0.82 HRH4 (0.40) HRH4HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL20249332 0.82 HRH4 (0.37) HRH4HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL20249328 0.82 HRH4 (0.37) HRH4HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL20037485 0.80 PTPN11 (0.37) HRH4PTPN11HRH3CHRNB2CHRNB4
SCHEMBL20037487 0.80 PTPN11 (0.37) HRH4PTPN11HRH3CHRNB2CHRNB4

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
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 1763/4885PTPN11 200/4885HRH3 2304/4885

“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.