SCHEMBL23733434

SCHEMBL23733434

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 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) NPC1RAB9AALDH1A1SMN1; SMN2PDCD1
SCHEMBL20203398 0.85 PDCD1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2PDCD1
SCHEMBL20037707 0.84 NPSR1 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2PDCD1
SCHEMBL26180774 0.83 PKM (0.36) NPC1RAB9AALDH1A1SMN1; SMN2PDCD1
SCHEMBL20203415 0.83 LMNA (0.33) NPC1RAB9ATP53TSHRLMNA
SCHEMBL21403227 0.81 AKT1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL20203512 0.81 AKT1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL20203508 0.78 CYP2C9 (0.36) NPC1RAB9AALDH1A1LMNA
SCHEMBL23733435 0.78 MEN1 (0.35) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL20238462 0.70 TP53 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2TP53

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 NPC1 3303/4885RAB9A 2243/4885ALDH1A1 964/4885

“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.