SCHEMBL25583448

SCHEMBL25583448

C[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
TRPA1 O75762 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
TAS1R2 Q8TE23 3/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX2 P34913 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
EPHX1 P07099 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
SCHEMBL24567754 0.81 POLB (0.45) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL18793674 0.81 POLB (0.45) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL5019737 0.80 POLB (0.48) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL13686217 0.78 MEN1 (0.47) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL13684345 0.78 MEN1 (0.47) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL9343215 0.76 TRPA1 (0.53) POLBSMN1; SMN2LMNATRPA1ALDH1A1
SCHEMBL13135688 0.76 TRPA1 (0.53) POLBSMN1; SMN2LMNATRPA1ALDH1A1
SCHEMBL6488391 0.74 POLB (0.43) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL6488388 0.74 POLB (0.43) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL13127924 0.74 POLB (0.43) MEN1KMT2APOLBSMN1; SMN2TRPA1

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-11655239-B2 Fused ring pyrimidine amino compound and preparation method, pharmaceutical composition, and use thereof Shanghai Institute of Material Medica, Chinese Academy of Sciences (CN) 2023-05-23 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-11655239-B2 Fused ring pyrimidine amino compound and preparation method, pharmaceutical composition, and use thereof DDR2, DDR1, DOCK2 MEN1 3895/4885KMT2A 1783/4885POLB 1684/4885

“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.