SCHEMBL12349148

SCHEMBL12349148

CC(C)c1ccc(-c2ccc(N)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.57
LTA4H P09960 1/20 0.51
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
MAP4K4 O95819 2/20 0.47
CYP1A2 P05177 1/20 0.45
KCNH2 Q12809 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
TNIK Q9UKE5 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
DGAT1 O75907 1/20 0.43
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42

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
SCHEMBL31073248 0.85 MKNK1 (0.51) PIK3CDLTA4HMKNK1MKNK2MAP4K4
SCHEMBL83975 0.83 NOS3 (0.50) PIK3CDMAP4K4KDM4ENPC1HPGD
SCHEMBL31222667 0.83 NOS3 (0.50) PIK3CDMAP4K4KDM4ENPC1HPGD
SCHEMBL30337416 0.82 PIK3CD (0.70) PIK3CDLTA4HMKNK1MKNK2MAP4K4
SCHEMBL12869440 0.82 MAPT (0.47) PIK3CDMAP4K4KDM4ENPC1HPGD
SCHEMBL30502351 0.81 PIK3CD (0.61) PIK3CDLTA4HMKNK1MKNK2MAP4K4
SCHEMBL1256963 0.81 PIK3CD (0.61) PIK3CDLTA4HMKNK1MKNK2MAP4K4
SCHEMBL13086423 0.80 PIK3CD (0.47) PIK3CDMKNK1MKNK2MAP4K4CYP1A2
SCHEMBL13524637 0.80 MAP4K4 (0.62) PIK3CDMKNK1MKNK2MAP4K4TLR9
SCHEMBL1257460 0.80 PIK3CD (0.73) PIK3CDLTA4HMKNK1MKNK2MAP4K4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011097300-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA, INC. (US) 2011-08-11 WO disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 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 (2 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 PIK3CD 3939/4885LTA4H 2787/4885MKNK1 3077/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 PIK3CD 4855/4885LTA4H 854/4885MKNK1 2214/4885

“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.