SCHEMBL20249256

SCHEMBL20249256

CNC1C2CCC1CN(c1ccc(C(C)(C)C)nc1)C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.37
CHRNA4 P43681 7/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.34
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL18291682 0.81 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL20255106 0.77 HRH4 (0.44) HRH4
SCHEMBL22601466 0.75 MAPT (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL20249253 0.75 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19001068 0.75 MAPT (0.58) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL19001128 0.75 MAPT (0.58) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL19012399 0.74 MAPT (0.59) CHRNB4CHRNA3MAPTRAB9A
SCHEMBL20414144 0.74 MAPT (0.40) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL22601593 0.74 MAPT (0.59) CHRNB4CHRNA3MAPTRAB9A
SCHEMBL20414145 0.74 CHRNB4 (0.43) 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 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 CHRNB2 4863/4885CHRNA4 4628/4885CHRNA7 4757/4885

“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.