SCHEMBL6856692

SCHEMBL6856692

COc1ccc(N(c2nc(N)nc(N(C)Cc3ccccc3)n2)C2CCCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
EGFR P00533 1/20 0.46
PDGFRB P09619 1/20 0.46
KDR P35968 1/20 0.46
NOS1 P29475 1/20 0.40
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
DHFR P00374 2/20 0.39
MERTK Q12866 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KCNA5 P22460 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9205951 0.74 TRPM8 (0.53) MERTKCNR1CNR2
SCHEMBL5030703 0.73 PKM (0.48) ALDH1A1L3MBTL1CYP2D6CYP2C19NOS1
SCHEMBL14869399 0.72 SMN1; SMN2 (0.58) ALDH1A1DHFRSMN1; SMN2RAB9A
SCHEMBL14266667 0.69 TSHR (0.57) ALDH1A1CNR1CNR2
SCHEMBL18855572 0.69 TRPM8 (0.45) CNR1CNR2RAB9A
SCHEMBL15094943 0.69 ADORA2A (0.47) L3MBTL1SMN1; SMN2
SCHEMBL4829081 0.68 CTSL (0.60) L3MBTL1CYP2D6CYP2C19MERTKSMN1; SMN2
SCHEMBL14869432 0.67 SMN1; SMN2 (0.52) ALDH1A1DHFRSMN1; SMN2RAB9A
SCHEMBL795874 0.66 SMN1; SMN2 (0.58) ALDH1A1DHFRSMN1; SMN2RAB9A
SCHEMBL19390961 0.66 HRH3 (0.70) ALDH1A1L3MBTL1CYP2D6CYP2C19CNR1

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 ALDH1A1 4407/4885L3MBTL1 4810/4885CYP2D6 4839/4885

“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.