SCHEMBL5551996

SCHEMBL5551996

CCN1CCCC1CNc1nc(N)nc(Nc2ccc(OC)c(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 4/20 0.47
DRD2 P14416 7/20 0.47
GALR2 O43603 3/20 0.46
CA2 P00918 2/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
CA9 Q16790 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL4829744 0.95 DRD2 (0.50) GALR1DRD2GALR2DRD3
SCHEMBL4832495 0.95 DRD2 (0.50) GALR1DRD2GALR2DRD3
SCHEMBL4836437 0.93 GALR1 (0.48) GALR1DRD2GALR2DRD3
SCHEMBL5031357 0.92 GALR1 (0.54) GALR1DRD2GALR2
SCHEMBL4832704 0.91 GALR1 (0.50) GALR1DRD2GALR2MAPTLMNA
SCHEMBL5029190 0.91 GALR1 (0.47) GALR1DRD2GALR2
SCHEMBL5434490 0.91 GALR1 (0.47) GALR1DRD2GALR2CYP2D6
SCHEMBL5029158 0.91 GALR1 (0.57) GALR1DRD2GALR2
SCHEMBL5029056 0.90 GALR1 (0.52) GALR1DRD2GALR2MAPTLMNA
SCHEMBL4832720 0.90 GALR1 (0.59) GALR1DRD2GALR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20060172984-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-03 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-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885DRD2 4772/4885GALR2 668/4885

“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.