SCHEMBL20203528

SCHEMBL20203528

Cc1nc(C(C)C)ccc1N1CCN(C2CN(CCO)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
DRD3 P35462 2/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL20203446 0.86 KMT2A (0.44) MAPTNPSR1KMT2AMEN1HTR2A
SCHEMBL21414464 0.85 CDK4 (0.34) KMT2AMEN1HTR2AHTR2CSLC6A4
SCHEMBL20203526 0.78 TLR9 (0.37) SYKTLR9TLR8TLR7
SCHEMBL21414489 0.76 MEN1 (0.32) KMT2AMEN1SMN1; SMN2DRD2
SCHEMBL20203393 0.75 CDK4 (0.43) MAPTKDM4EALDH1A1SMN1; SMN2DRD2
SCHEMBL20203491 0.72 PDCD1 (0.36) CYP2C19
SCHEMBL18291446 0.70 DRD3 (0.50) MAPTNPSR1KMT2AMEN1HTR2A
SCHEMBL20203439 0.69 ADRB1 (0.45) HTR2A
SCHEMBL20038642 0.68 MEN1 (0.46) MAPTNPSR1KMT2AMEN1HTR2A
SCHEMBL20249527 0.67 MAPK1 (0.46) MAPTNPSR1KMT2AMEN1HTR2A

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 MAPT 2593/4885NPSR1 4395/4885KMT2A 657/4885

“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.