SCHEMBL20203487

SCHEMBL20203487

C[S+]([O-])c1ncc2cc(CCOC(=O)c3ccccc3)nc(N3CCCCC3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 3/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
METAP1 P53582 1/20 0.34
MAPK1 P28482 1/20 0.34
NOS1 P29475 1/20 0.33
P2RY12 Q9H244 1/20 0.33
HTR4 Q13639 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL20203488 0.84 LMNA (0.36) LMNATP53SCN1ASCN2ASCN3A
SCHEMBL20203462 0.84 MEN1 (0.46) LMNATP53PKMSCN1ASCN2A
SCHEMBL21403227 0.80 AKT1 (0.34) LMNATP53SCN1ASCN2ASCN3A
SCHEMBL20203486 0.75 TP53 (0.40) LMNATP53PKML3MBTL1ALDH1A1
SCHEMBL20203438 0.75 MEN1 (0.48) LMNATP53L3MBTL1ALDH1A1KDM4E
SCHEMBL20203508 0.71 CYP2C9 (0.36) LMNASCN1ASCN2ASCN3AL3MBTL1
SCHEMBL25275249 0.67 KDM4E (0.36) TP53PKML3MBTL1ALDH1A1KDM4E
SCHEMBL20203503 0.67 NOS1 (0.33) NOS1
SCHEMBL21403165 0.66 PDE4B (0.42) TP53L3MBTL1ALDH1A1KDM4E
SCHEMBL20203574 0.66 PKM (0.44) LMNAPKML3MBTL1ALDH1A1HPGD

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 LMNA 3711/4885TP53 176/4885PKM 661/4885

“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.