SCHEMBL20203488

SCHEMBL20203488

C[C@H](Cc1cc2cnc([S+](C)[O-])nc2c(N2CCCCC2)n1)OC(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TP53 P04637 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 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
SCHEMBL20203512 0.85 AKT1 (0.34) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL21403227 0.85 AKT1 (0.34) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL20203487 0.84 LMNA (0.38) LMNASCN1ASCN2ASCN3AL3MBTL1
SCHEMBL20203508 0.76 CYP2C9 (0.36) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL20203486 0.70 TP53 (0.40) LMNAPOLBL3MBTL1ALDH1A1KDM4E
SCHEMBL20203503 0.70 NOS1 (0.33)
SCHEMBL20203438 0.70 MEN1 (0.48) LMNAPOLBL3MBTL1ALDH1A1KDM4E
SCHEMBL21403245 0.69 KMT2A (0.37) LMNANPC1L3MBTL1ALDH1A1KDM4E
SCHEMBL20203513 0.69 KMT2A (0.42) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL20203540 0.69 KMT2A (0.42) LMNACYP1A2CYP2D6SCN1ASCN2A

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 3711/4885CYP1A2 2489/4885CYP2D6 95/4885

“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.