SCHEMBL5031464

SCHEMBL5031464

CCC(Nc1nc(NCC2CCCCC2)nc(N(C)c2ccc(OC)c(F)c2)n1)C1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.40
MAPK1 P28482 5/20 0.36
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
CES1 P23141 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32

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
SCHEMBL5554463 0.90 MAPK1 (0.40) GALR1MAPK1KMT2A
SCHEMBL5031281 0.87 GALR1 (0.42) GALR1MAPK1HTR2CHTR2AHTR2B
SCHEMBL6820253 0.87 MAPK1 (0.37) GALR1MAPK1TUBB4ATUBBTUBA3C
SCHEMBL4836390 0.86 GALR1 (0.55) GALR1MAPK1PI4KB
SCHEMBL6013860 0.86 GALR1 (0.55) GALR1MAPK1PI4KB
SCHEMBL5036365 0.86 GALR1 (0.55) GALR1MAPK1PI4KB
SCHEMBL4837841 0.86 GALR1 (0.55) GALR1MAPK1PI4KB
SCHEMBL4839616 0.86 GALR1 (0.55) GALR1MAPK1PI4KB
SCHEMBL6013830 0.86 GALR1 (0.55) GALR1MAPK1PI4KB
SCHEMBL5029188 0.85 GALR1 (0.53) GALR1MAPK1PI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885MAPK1 370/4885HTR2C 1352/4885

“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.