SCHEMBL6016949

SCHEMBL6016949

CCC(C1CCCN1)N(c1ccc(OC)c(F)c1)c1nc(N)nc(NC2CCCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 4/20 0.39
BCL6 P41182 1/20 0.34
PDE5A O76074 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
AGER Q15109 1/20 0.33
KMT2A Q03164 2/20 0.33
CCR4 P51679 1/20 0.33
FAAH O00519 1/20 0.31
GALR2 O43603 1/20 0.31
GALR1 P47211 1/20 0.31

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
SCHEMBL6607370 0.89 GALR1 (0.39) SMN1; SMN2MAPK1KMT2AGALR1MEN1
SCHEMBL5554034 0.88 GALR1 (0.38) SMN1; SMN2MAPK1KMT2AGALR1MEN1
SCHEMBL6428528 0.88 GALR1 (0.35) MAPK1GALR1
SCHEMBL5412214 0.86 TACR1 (0.35) MAPK1CYP2D6MAPT
SCHEMBL6819318 0.85 MAPK1 (0.33) SMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL5553561 0.85 SMN1; SMN2 (0.37) SMN1; SMN2MAPK1KDM4EALDH1A1LMNA
SCHEMBL5553495 0.84 MAPK1 (0.34) MAPK1GALR1
SCHEMBL5553512 0.84 MAPK1 (0.39) MAPK1GALR1TTK
SCHEMBL6612957 0.84 HTR2A (0.38) MAPK1KMT2AGALR1MEN1
SCHEMBL6428837 0.84 ALDH1A1 (0.35) SMN1; SMN2MAPK1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US disclosed
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 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-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SMN1; SMN2 4172/4885MAPK1 343/4885BCL6 2097/4885

“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.