SCHEMBL6013841

SCHEMBL6013841

CCC(Nc1nc(Nc2ccc(OC)c(F)c2)nc(NC2CCCCCC2)n1)[C@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 7/20 0.44
BCL6 P41182 1/20 0.44
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GALR2 O43603 7/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL4829617 1.00 GALR1 (0.44) GALR1BCL6CTSLCTSSCTSK
SCHEMBL4832646 1.00 GALR1 (0.44) GALR1BCL6CTSLCTSSCTSK
SCHEMBL6013788 1.00 GALR1 (0.44) GALR1BCL6CTSLCTSSCTSK
SCHEMBL4838952 1.00 GALR1 (0.44) GALR1BCL6CTSLCTSSCTSK
Hydrochloric Acid SCHEMBL4838895 0.99 GALR1 (0.44) GALR1BCL6CTSLCTSSCTSK
SCHEMBL4832251 0.97 GALR1 (0.42) GALR1BCL6CTSLCTSSCTSK
SCHEMBL5555460 0.94 CTSL (0.41) GALR1BCL6CTSLCTSSCTSK
SCHEMBL4832502 0.93 GALR1 (0.45) GALR1BCL6MAPK1GALR2
SCHEMBL5554791 0.93 IDH2 (0.44) GALR1BCL6MAPK1GALR2
SCHEMBL5550320 0.92 BCL6 (0.40) GALR1BCL6CTSLCTSSCTSK

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 3 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-20060172984-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-03 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 (2 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 GALR1 961/4885BCL6 2097/4885CTSL 2846/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885BCL6 2097/4885CTSL 2846/4885

“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.