SCHEMBL6862311

SCHEMBL6862311

CCN1CCCC1CN(c1nc(N)nc(N(C)c2ccc(F)cc2F)n1)C1CCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
JAK2 O60674 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6608904 0.73 GALR1 (0.43) ALDH1A1
SCHEMBL5550316 0.73 GALR1 (0.43) ALDH1A1
SCHEMBL4832705 0.73 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL6861989 0.72 L3MBTL1 (0.45) KDM4EALDH1A1TSHRLMNAJAK2
SCHEMBL6609097 0.66 MEN1 (0.32) CTSLKDM4EALDH1A1HSD17B10HPGD
SCHEMBL17220003 0.65 DHFR (0.39) ALDH1A1MEN1KMT2AHSP90AA1TSHR
SCHEMBL6231144 0.63 SIGMAR1 (0.31) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL5552440 0.63 PIM1 (0.43) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL17220329 0.62 MAPT (0.45) CTSLALDH1A1TSHRLMNANPSR1
SCHEMBL4836067 0.61 GALR1 (0.43) KDM4EALDH1A1HSD17B10HPGDPOLB

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 CTSL 2846/4885KDM4E 3314/4885ALDH1A1 4407/4885

“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.