SCHEMBL6861920

SCHEMBL6861920

CCN1CCCC1CNc1nc(N)nc(N(c2ccc(N3CCN(C)CC3)cc2)C2CCCCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
PIM1 P11309 1/20 0.35
ACHE P22303 1/20 0.35
HSD17B10 Q99714 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
DRD2 P14416 1/20 0.33
IL1B P01584 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
LMNA P02545 1/20 0.32
SYK P43405 1/20 0.32
POLB P06746 1/20 0.32
CDK11A Q9UQ88 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL6864893 0.80 KDM4E (0.35) VNN1PIM1ACHEHSD17B10KDM4E
SCHEMBL5552440 0.80 PIM1 (0.43) VNN1PIM1ACHEHSD17B10KDM4E
SCHEMBL4835841 0.74 EGFR (0.50) JAK2JAK3PTK2ALDH1A1IRAK4
SCHEMBL5431454 0.74 PIM1 (0.49) VNN1PIM1ACHEHSD17B10KDM4E
SCHEMBL6864393 0.71 DRD2 (0.41) TSHRDRD2LMNA
SCHEMBL5554556 0.70 PIM1 (0.42) VNN1PIM1ACHEHSD17B10KDM4E
SCHEMBL6430855 0.69 DRD2 (0.39) PIM1DRD2
SCHEMBL5033979 0.68 DRD2 (0.40) DRD2
SCHEMBL6231594 0.68 KDM4E (0.35) ACHEHSD17B10KDM4EALDH1A1HPGD
SCHEMBL5036468 0.68 TSHR (0.36) ACHEHSD17B10KDM4EALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 US claimed

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-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS VNN1 3029/4885JAK2 114/4885JAK3 501/4885

“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.