SCHEMBL20249100

SCHEMBL20249100

CC(C)(C)c1ccc(N2CCC(CCCO)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.45
CCND1 P24385 4/20 0.45
CCND2 P30279 4/20 0.45
CCND3 P30281 4/20 0.45
MAPT P10636 2/20 0.44
CYP11B2 P19099 1/20 0.43
CDK2 P24941 3/20 0.42
CCNE2 O96020 2/20 0.42
CCNE1 P24864 2/20 0.42
HRH3 Q9Y5N1 3/20 0.40
CHRM4 P08173 3/20 0.39
FGFR1 P11362 1/20 0.39
CCNA2 P20248 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
CCNA1 P78396 1/20 0.39
SYK P43405 1/20 0.38
CYP3A4 P08684 2/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL20255481 0.85 CYP11B2 (0.48) CDK4CCND1CCND2CCND3MAPT
SCHEMBL20249098 0.81 MAPT (0.46) MAPTCDK2HRH3CYP3A4CDK1
SCHEMBL18291550 0.81 MAPT (0.46) CDK4CCND1CCND2CCND3MAPT
SCHEMBL18291363 0.81 MTOR (0.47) CDK4CCND1CCND2CCND3MAPT
SCHEMBL20249226 0.80 MAPT (0.45) MAPTHRH3CHRM4CYP3A4GPR119
SCHEMBL20255191 0.79 HRH4 (0.43) CDK4CCND1CCND3MAPTCDK2
SCHEMBL26641406 0.78 MAPT (0.59) CDK4CCND1CCND2CCND3MAPT
SCHEMBL20249105 0.78 GAA (0.46) CDK4CCND1MAPTCDK2HRH3
SCHEMBL20249116 0.77 ABL1 (0.43) CDK4MAPTCDK2HRH3SYK
SCHEMBL20255150 0.77 CDK4 (0.38) CDK4CCND1CCND2CCND3MAPT

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 CDK4 1/4885CCND1 32/4885CCND2 36/4885

“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.