SCHEMBL20203607

SCHEMBL20203607

CC(C)c1ccc2c(n1)CCN(C(=O)CN1CC3(CN(C)C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.39
CDK4 P11802 4/20 0.38
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
CDK7 P50613 2/20 0.38
CDK9 P50750 2/20 0.38
CDK6 Q00534 2/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HSP90AA1 P07900 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCND3 P30281 2/20 0.33
GLA P06280 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
MEN1 O00255 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
SCHEMBL20203608 0.89 TLR9 (0.41) KDRCDK4CDK1CDK2CDK7
SCHEMBL20203603 0.88 CDK1 (0.46) KDRCDK4CDK1CDK2CDK7
SCHEMBL20203609 0.88 CDK4 (0.34) KDRCDK4CDK1CDK2CDK7
SCHEMBL21414422 0.86 KDR (0.40) KDRCDK4CDK1CDK2CDK7
SCHEMBL23733468 0.85 NPC1 (0.42) KDRCDK4CDK1CDK2CDK7
SCHEMBL20203582 0.85 KDR (0.40) KDRCDK4CDK1CDK2CDK7
SCHEMBL22876972 0.84 KDR (0.41) KDRCDK4CDK1CDK2CDK7
SCHEMBL20203602 0.83 CDK1 (0.41) KDRCDK4CDK1CDK2CDK7
SCHEMBL20203642 0.82 CDK4 (0.47) KDRCDK4CDK1CDK2CDK7
SCHEMBL20203586 0.82 ALDH1A1 (0.37) KDRCDK4CDK1CDK2CDK7

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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 US disclosed
WO-2018097297-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2018-05-31 WO 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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 KDR 1105/4885CDK4 1/4885CDK1 8/4885

“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.