SCHEMBL3937667

SCHEMBL3937667

CC(=O)Nc1cc(Nc2cccnc2)cc(-c2cccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.39
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
FYN P06241 1/20 0.39
ALOX15 P16050 1/20 0.38
ATR Q13535 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3931607 0.86 HTT (0.39) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL3936362 0.85 NAMPT (0.42) MAPTSMN1; SMN2CYP2C9LMNAJAK2
SCHEMBL3931771 0.78 HTT (0.38) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL3938426 0.77 TSHR (0.42) ALOX15MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3930098 0.77 HPGDS (0.55) PIP4K2APIP4K2BJAK3NTRK1PIK3CD
SCHEMBL3929172 0.76 PTGER1 (0.35) BRAFFYNALDH1A1POLBJAK3
SCHEMBL3933028 0.75 MAPK14 (0.36) FYNATRCYP3A4CYP2C19CYP2C9
SCHEMBL3928721 0.75 MAPK10 (0.42) PIP4K2APIP4K2BFYNMAPTCYP1A2
SCHEMBL3937320 0.74 AAK1 (0.34) FYN
SCHEMBL3925262 0.73 HSD11B1 (0.43) KMT2AMEN1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 BRAF 664/4885PIP4K2A 4139/4885PIP4K2B 4263/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 BRAF 644/4885PIP4K2A 4090/4885PIP4K2B 4221/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 BRAF 72/4885PIP4K2A 4321/4885PIP4K2B 4353/4885

“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.