SCHEMBL17044822

SCHEMBL17044822

Cn1c(=O)n(CCN(C(=O)O)C(C)(C)C)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AGER Q15109 1/20 0.44
TSHR P16473 5/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
GRM2 Q14416 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 1/20 0.41

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
SCHEMBL17044905 0.77 RAB9A (0.52) LMNACYP1A2POLBTSHRALDH1A1
SCHEMBL13354930 0.76 CYP1A2 (0.56) LMNACYP1A2POLBTHRBL3MBTL1
SCHEMBL1520129 0.74 APEX1 (0.62) LMNACYP1A2L3MBTL1ALDH1A1
SCHEMBL7267279 0.74 LMNA (0.48) LMNACYP1A2POLBTHRBL3MBTL1
SCHEMBL30904706 0.73 CNR1 (0.53) LMNACYP1A2POLBTHRBL3MBTL1
SCHEMBL18783623 0.72 MEN1 (0.60) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL3581111 0.72 APEX1 (0.76) LMNACYP1A2POLBTHRBL3MBTL1
SCHEMBL11098187 0.72 CYP1A2 (0.59) LMNACYP1A2POLBTHRBL3MBTL1
SCHEMBL30765074 0.71 PSMB1 (0.45) LMNAPOLBL3MBTL1TSHRNPC1
SCHEMBL16822116 0.71 POLB (0.59) LMNACYP1A2POLBTHRBL3MBTL1

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
EP-3082819-B1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed
US-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS LLC 2015-09-03 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-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE LMNA 499/4885CYP1A2 3737/4885POLB 973/4885

“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.