SCHEMBL20255481

SCHEMBL20255481

Cc1ccc(N2CCC(CCCO)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.48
CDK4 P11802 4/20 0.47
CCND1 P24385 4/20 0.47
CCND2 P30279 4/20 0.47
CCND3 P30281 4/20 0.47
MAPT P10636 2/20 0.46
PIK3CA P42336 3/20 0.46
MTOR P42345 3/20 0.46
CDK2 P24941 3/20 0.44
CCNE2 O96020 2/20 0.44
CCNE1 P24864 2/20 0.44
CHRM4 P08173 3/20 0.42
FGFR1 P11362 1/20 0.41
CCNA2 P20248 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
CCNA1 P78396 1/20 0.41
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40

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
SCHEMBL20249100 0.85 CDK4 (0.45) CYP11B2CDK4CCND1CCND2CCND3
SCHEMBL12595589 0.84 PIK3CA (0.51) MAPTPIK3CAMTORCHRM4USP1
SCHEMBL18291363 0.84 MTOR (0.47) CYP11B2CDK4CCND1CCND2CCND3
SCHEMBL18291550 0.84 MAPT (0.46) CYP11B2CDK4CCND1CCND2CCND3
SCHEMBL15859901 0.80 CDK1 (0.45) PIK3CAMTORCHRM4USP1WDR48
SCHEMBL26641406 0.79 MAPT (0.59) CYP11B2CDK4CCND1CCND2CCND3
SCHEMBL24632524 0.78 AKT2 (0.44) CDK4PIK3CAMTORUSP1WDR48
SCHEMBL31625156 0.78 AKT2 (0.44) CDK4PIK3CAMTORUSP1WDR48
SCHEMBL17664584 0.78 MAPT (0.50) CDK4CCND1CCND2CCND3MAPT
SCHEMBL3971695 0.77 MAPT (0.44) CYP11B2CDK4CCND1CCND2CCND3

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 CYP11B2 1006/4885CDK4 1/4885CCND1 32/4885

“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.