SCHEMBL18188570

SCHEMBL18188570

C[C@@H](C(=O)Nc1cccc(F)c1C(=O)Nc1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
HTT P42858 1/20 0.40
NOD2 Q9HC29 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TRPA1 O75762 1/20 0.40
F10 P00742 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL18188572 1.00 GAA (0.42) GAARAB9AMAPTNPSR1JAK2
SCHEMBL18188918 0.87 MAPT (0.42) GAARAB9AMAPTNPSR1JAK2
SCHEMBL14992199 0.87 MAPT (0.42) GAARAB9AMAPTNPSR1JAK2
SCHEMBL18188681 0.86 RAB9A (0.40) GAARAB9AMAPTNPSR1JAK2
SCHEMBL18188684 0.86 RAB9A (0.40) GAARAB9AMAPTNPSR1JAK2
SCHEMBL16345869 0.80 GAA (0.48) GAARAB9AMAPTNPSR1JAK2
SCHEMBL19576325 0.78 KMT2A (0.49) GAARAB9AJAK2JAK1TYK2
SCHEMBL19935743 0.78 KMT2A (0.49) GAARAB9AJAK2JAK1TYK2
SCHEMBL16583403 0.78 LMNA (0.48) GAARAB9AJAK2JAK1TYK2
SCHEMBL6715732 0.76 CYP1A2 (0.49) GAARAB9AMAPTNPSR1HTT

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-9518046-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2016-12-13 US disclosed
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-11-03 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-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 GAA 1319/4885RAB9A 2525/4885MAPT 4477/4885

“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.