SCHEMBL20249448

SCHEMBL20249448

CC(CN(C)C)Oc1ccc(C(C)(C)C)nc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.37
CHEK2 O96017 3/20 0.37
MCHR1 Q99705 1/20 0.36
GCK P35557 1/20 0.36
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
TOP1 P11387 1/20 0.35
TSHR P16473 1/20 0.35
KCNH2 Q12809 2/20 0.32
CDK1 P06493 1/20 0.31
AURKA O14965 1/20 0.31
MARK3 P27448 1/20 0.31
PRKCD Q05655 1/20 0.31

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
SCHEMBL22148843 0.80 ABL1 (0.40) MCHR1GCKKCNH2CDK1
SCHEMBL20038355 0.80 MCHR1 (0.38) CHEK1CHEK2MCHR1TOP1TSHR
SCHEMBL26522784 0.79 ALDH1A3 (0.37)
SCHEMBL18291374 0.78 MCHR1 (0.38) CHEK1CHEK2MCHR1TOP1TSHR
SCHEMBL18291198 0.78 MCHR1 (0.38) CHEK1CHEK2MCHR1GCKTOP1
SCHEMBL20038354 0.78 MCHR1 (0.40) CHEK1CHEK2MCHR1GCKHTT
SCHEMBL20249265 0.77 HIF1A (0.40) HTTHIF1A
SCHEMBL25450352 0.76 POLB (0.31)
SCHEMBL25094586 0.74 GRIN2B (0.35) HTTKCNH2
SCHEMBL14828692 0.73 MCHR1 (0.42) MCHR1TOP1TSHRKCNH2

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 CHEK1 337/4885CHEK2 184/4885MCHR1 4511/4885

“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.