SCHEMBL23733486

SCHEMBL23733486

CCc1ccc2c(n1)CCN(C(=O)CN1CCN(CCO)CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.42
CDK4 P11802 4/20 0.40
CDK2 P24941 4/20 0.40
CDK6 Q00534 4/20 0.40
CDK1 P06493 2/20 0.40
CDK7 P50613 2/20 0.40
CDK9 P50750 2/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ENPP2 Q13822 1/20 0.36
NAMPT P43490 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 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
SCHEMBL23733485 0.92 KDR (0.48) KDRCDK4CDK2CDK6CDK1
SCHEMBL21414424 0.91 KDR (0.39) KDRCDK4CDK2CDK6CDK1
SCHEMBL21414440 0.89 KDR (0.42) KDRCDK4CDK2CDK6CDK1
SCHEMBL23733481 0.85 KDR (0.47) KDRCDK4CDK2CDK6CDK1
SCHEMBL23733456 0.84 KDM4E (0.43) KDRCDK4CDK2CDK6CDK1
SCHEMBL20203602 0.83 CDK1 (0.41) KDRCDK4CDK2CDK6CDK1
SCHEMBL23733455 0.83 ALDH1A1 (0.38) KDRCDK4CDK2CDK6CDK1
SCHEMBL22877016 0.83 CDK1 (0.39) KDRCDK4CDK2CDK6CDK1
SCHEMBL22876972 0.83 KDR (0.41) KDRCDK4CDK2CDK6CDK1
SCHEMBL23733476 0.83 POLB (0.43) CDK4CDK1CCNB1CCNE1ALDH1A1

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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 KDR 1105/4885CDK4 1/4885CDK2 5/4885

“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.