SCHEMBL20203586

SCHEMBL20203586

CC(C)c1ccc2c(n1)CCN(C(=O)CN1CC(O)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 3/20 0.37
ALOX15 P16050 1/20 0.37
CDK4 P11802 4/20 0.36
CDK2 P24941 4/20 0.36
CDK6 Q00534 4/20 0.36
CDK1 P06493 2/20 0.36
CDK7 P50613 2/20 0.36
CDK9 P50750 2/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
TLR9 Q9NR96 3/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
MAPT P10636 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL23733461 0.93 TLR9 (0.41) KDM4EMEN1CDK4CDK2CDK6
SCHEMBL20203584 0.93 TLR9 (0.41) KDM4EMEN1CDK4CDK2CDK6
SCHEMBL20203606 0.90 CDK4 (0.38) ALDH1A1KDM4ECASP1CASP7MEN1
SCHEMBL20203605 0.90 KDM4E (0.43) ALDH1A1KDM4EMEN1CDK4CDK2
SCHEMBL21414386 0.88 GABRG2 (0.36) ALDH1A1KDM4ECASP1CASP7MEN1
SCHEMBL20203582 0.87 KDR (0.40) ALDH1A1KDM4EMEN1CDK4CDK2
SCHEMBL23733468 0.87 NPC1 (0.42) ALDH1A1KDM4ECDK4CDK2CDK6
SCHEMBL20203609 0.86 CDK4 (0.34) ALDH1A1KDM4ECASP1CASP7MEN1
SCHEMBL20203603 0.86 CDK1 (0.46) ALDH1A1KDM4ECDK4CDK2CDK6
SCHEMBL20203583 0.86 KDM4E (0.39) ALDH1A1KDM4EMEN1CDK4CDK2

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 3 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
EP-3546458-B1 ((PYRIDIN-2-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE AND ((PYRIDAZIN-3-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES AS CDK4/6 INHIBITORS FOR TREATING E.G. RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, PULMONARY FIBROSIS, CEREBRAL INFARCTION OR CANCER TEIJIN PHARMA LTD (JP) 2021-01-06 EP 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 ALDH1A1 964/4885KDM4E 451/4885CASP1 2539/4885

“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.