SCHEMBL20249279

SCHEMBL20249279

CC(C)(C)c1ccc(OC2CCNC2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PRKCZ Q05513 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HTR1A P08908 2/20 0.37
SLC6A2 P23975 2/20 0.37
CHRM1 P11229 1/20 0.36
CHUK O15111 1/20 0.35
DYRK3 O43781 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AKT1 P31749 1/20 0.35
CLK2 P49760 1/20 0.35
PRKX P51817 1/20 0.35
PRKG2 Q13237 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL20249277 0.92 CHRNB2 (0.44) CHRNB2CHRNA4HTR1ASLC6A2CHRM1
SCHEMBL20249274 0.88 SLC6A2 (0.37) HTR1ASLC6A2CHRM1
SCHEMBL28680547 0.83 CHRNB2 (0.46) CHRNB2CHRNA4PRKCZHTR2CHTR2B
SCHEMBL28680550 0.83 CHRNB2 (0.46) CHRNB2CHRNA4PRKCZHTR2CHTR2B
SCHEMBL20249297 0.81 CLK2 (0.40) PIM1CLK2DYRK1A
SCHEMBL20249298 0.81 CLK2 (0.40) PIM1CLK2DYRK1A
SCHEMBL20249286 0.81 CLK2 (0.32) PIM1CLK2DYRK1A
SCHEMBL18291292 0.80 CHRNB2 (0.44) CHRNB2CHRNA4PRKCZHTR2CHTR2B
SCHEMBL21889786 0.78 CHRNB2 (0.47) CHRNB2CHRNA4PRKCZHTR2CHTR2B
SCHEMBL18291432 0.77 CHRNB2 (0.44) CHRNB2CHRNA4PRKCZHTR2CHTR2B

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 4628/4885PRKCZ 1671/4885

“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.