SCHEMBL23733435

SCHEMBL23733435

C[C@@H](OC(=O)c1ccccc1)c1cc2cnc([S+](C)[O-])nc2c(C2=CCCCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PTGER1 P34995 1/20 0.30
ATR Q13535 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
FFAR2 O15552 1/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL21403201 0.85 PDCD1 (0.36) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL20203398 0.85 PDCD1 (0.36) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL21414352 0.84 KMT2A (0.36) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL26180774 0.79 PKM (0.36) KMT2ANPC1RAB9ALMNACYP1A2
SCHEMBL20203415 0.79 LMNA (0.33) NPC1RAB9ALMNACYP1A2CYP2D6
SCHEMBL23733434 0.78 NPC1 (0.33) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL20037707 0.78 NPSR1 (0.35) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL21403227 0.78 AKT1 (0.34) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL20203512 0.78 AKT1 (0.34) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL20203411 0.78

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 MEN1 2438/4885KMT2A 657/4885TDP1 814/4885

“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.