SCHEMBL20249386

SCHEMBL20249386

CC(C)(C)c1ccc2c(n1)CCN(CCN1CCCC1=O)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1B P35368 3/20 0.40
▸ ADRA1D P25100 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 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
SCHEMBL18291672 0.84 ADRA1B (0.45) ADRA1BADRA1DADRA1ADRD3KCNH2
SCHEMBL22966559 0.79 CDK4 (0.42) POLBTSHRADORA2A
SCHEMBL20249376 0.79 PDCD1 (0.47) POLB
SCHEMBL18806155 0.77 CDK4 (0.44) POLBKDM4EADORA2AMOGAT2
SCHEMBL18806194 0.77 ADORA2A (0.37) POLBADORA2AMOGAT2
SCHEMBL18819904 0.77 CDK4 (0.41) DRD2DRD3POLBADORA2A
SCHEMBL20249391 0.77 CDK4 (0.42) KCNH2
SCHEMBL18806181 0.77 CDK4 (0.40) POLBKMT2ATDP1KDM4E
SCHEMBL20255390 0.77 CDK4 (0.43) POLBADORA2AMOGAT2
SCHEMBL20249522 0.74 CD274 (0.45) KMT2ATSHRKDM4EALDH1A1GAA

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 ADRA1B 3145/4885ADRA1D 2714/4885ADRA1A 3664/4885

“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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