SCHEMBL6864893

SCHEMBL6864893

CCN(CC)c1ccc(N(c2nc(N)nc(NCC3CCCN3CC)n2)C2CCCCCC2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
VNN1 O95497 1/20 0.34
PIM1 P11309 1/20 0.33
ACHE P22303 1/20 0.33
MAP3K8 P41279 2/20 0.33
PRKCA P17252 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
DRD2 P14416 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
SCHEMBL6861920 0.80 VNN1 (0.36) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL5552440 0.77 PIM1 (0.43) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL5033979 0.75 DRD2 (0.40) DRD2
SCHEMBL5036468 0.74 TSHR (0.36) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL6231594 0.74 KDM4E (0.35) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL4829503 0.74 MAP3K8 (0.42) KDM4EALDH1A1HSD17B10LMNATSHR
Hydrochloric Acid SCHEMBL5555480 0.73 MAP3K8 (0.41) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL5471457 0.73 MAP3K8 (0.41) KDM4EALDH1A1HSD17B10LMNATSHR
Hydrochloric Acid SCHEMBL4832271 0.73 MAP3K8 (0.41) KDM4EALDH1A1HSD17B10LMNATSHR
Hydrochloric Acid SCHEMBL5438482 0.72 MAP3K8 (0.40) TSHRSIGMAR1MAP3K8

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 KDM4E 3314/4885ALDH1A1 4407/4885HSD17B10 1873/4885

“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.