SCHEMBL5031301

SCHEMBL5031301

CCN1CCCC1CNc1nc(NC2CCCCCC2)nc(NC2CCC(O)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
VNN1 O95497 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.39
FLT3 P36888 4/20 0.39
TYRO3 Q06418 4/20 0.39
MERTK Q12866 4/20 0.39
GAS6 Q14393 4/20 0.39
AXL P30530 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.37
PDE4A P27815 1/20 0.36
ABCG2 Q9UNQ0 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
SCHEMBL5434394 0.89 PIM1 (0.42) PIM1ALDH1A1KDM4ETP53CYP3A4
SCHEMBL5554556 0.87 PIM1 (0.42) PIM1ALDH1A1KDM4ETP53CYP3A4
SCHEMBL14268895 0.81 ACHE (0.47) ALDH1A1KDM4ETP53CYP3A4TSHR
SCHEMBL4838626 0.81 RAB9A (0.57) ALDH1A1KDM4ETP53CYP3A4TSHR
SCHEMBL4832652 0.80 RAB9A (0.51) ALDH1A1KDM4ETSHRHSD17B10MEN1
SCHEMBL4836468 0.80 RAB9A (0.46) PIM1ALDH1A1MEN1KMT2AACHE
SCHEMBL6856822 0.80 CTSS (0.44) ALDH1A1KDM4ETP53CYP3A4TSHR
SCHEMBL14268811 0.80 RAB9A (0.46) ALDH1A1KDM4ETP53CYP3A4TSHR
SCHEMBL4832892 0.80 HTR2C (0.48) ALDH1A1KDM4ECYP3A4TSHRHSD17B10
SCHEMBL5032346 0.79 ACHE (0.45) PIM1ALDH1A1KDM4ETP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US claimed
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 US claimed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
WO-2005103015-A1 TRIAZINE COMPOUNDS AND THEIR ANALOGS, COMPOSITIONS, AND METHODS REDDY US THERAPEUTICS, INC. (US) 2005-11-03 WO disclosed
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 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-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 PIM1 1117/4885ALDH1A1 4331/4885KDM4E 1233/4885

“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.