SCHEMBL20255390

SCHEMBL20255390

CNCCN1CCc2nc(C(C)(C)C)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.43
▸ CDK1 P06493 3/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ CDK7 P50613 3/20 0.43
▸ CDK9 P50750 3/20 0.43
▸ CDK6 Q00534 3/20 0.43
▸ CDK5 Q00535 3/20 0.43
▸ CCND3 P30281 1/20 0.39
▸ HTR7 P34969 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CARM1 Q86X55 2/20 0.35
▸ PRMT6 Q96LA8 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PDCD1 Q15116 2/20 0.34
▸ CD274 Q9NZQ7 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ MOGAT2 Q3SYC2 2/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33

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
SCHEMBL20249376 0.84 PDCD1 (0.47) CDK4CDK1CDK2CDK7CDK9
SCHEMBL18806181 0.82 CDK4 (0.40) CDK4CDK1CDK2CDK7CDK9
SCHEMBL22966559 0.82 CDK4 (0.42) CDK4CDK2CDK6LMNAPOLB
SCHEMBL18819904 0.82 CDK4 (0.41) CDK4LMNAPOLBMAPTPDCD1
SCHEMBL18806194 0.82 ADORA2A (0.37) CDK4CDK1CDK2CDK7CDK9
SCHEMBL20249391 0.82 CDK4 (0.42) CDK4CDK1CDK2CDK7CDK9
SCHEMBL18291526 0.81 CDK4 (0.40) CDK4CDK1CDK2CDK7CDK9
SCHEMBL29591564 0.81 CDK4 (0.40) CDK4CDK1CDK2CDK7CDK9
Hydrochloric Acid SCHEMBL29591446 0.80 CDK4 (0.40) CDK4CDK1CDK2CDK7CDK9
SCHEMBL18806155 0.80 CDK4 (0.44) CDK4CDK2CDK6HTR7LMNA

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 1/4885CDK1 8/4885CDK2 4/4885

“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.

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