SCHEMBL20255253

SCHEMBL20255253

N[C@H]1CCN(c2ccc(I)nc2)C[C@@H]1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
CHRNB2 P17787 5/20 0.35
CHRNA4 P43681 5/20 0.35
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
MAPT P10636 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
PTPN11 Q06124 6/20 0.34
DPP4 P27487 2/20 0.34
NOTUM Q6P988 1/20 0.33
KHK P50053 1/20 0.33
MCHR1 Q99705 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
SCHEMBL20255249 1.00 KCNH2 (0.37) KCNH2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18291433 0.84 MCHR1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CCNC
SCHEMBL18291577 0.84 SLC6A9 (0.40) KCNH2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20037704 0.84 CHRNB2 (0.40) KCNH2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20255480 0.83 HRH3 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL20249223 0.79 HRH4 (0.39) KCNH2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20249224 0.79 HRH4 (0.39) KCNH2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18290987 0.77 PTPN11 (0.36) KCNH2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18291552 0.75 ABL1 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL18291545 0.73 MAPT (0.49) CHRNB2CHRNA4CHRNB4CHRNA3MAPT

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 KCNH2 3160/4885CHRNB2 4863/4885CHRNA4 4628/4885

“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.