SCHEMBL14533521

SCHEMBL14533521

COc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1CI

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.58
▸ BCL6 P41182 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CTSL P07711 2/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ PDE4A P27815 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PTGS2 P35354 1/20 0.44
▸ GALR2 O43603 1/20 0.44
▸ GALR1 P47211 1/20 0.44
▸ CTSV O60911 1/20 0.43
▸ PLAT P00750 1/20 0.43
▸ CTSH P09668 1/20 0.43
▸ CASP14 P31944 1/20 0.43
▸ CASP6 P55212 1/20 0.43

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
SCHEMBL14421535 0.95 RAB9A (0.50) RAB9ABCL6SMN1; SMN2CTSLCTSS
SCHEMBL14421446 0.91 CTSS (0.48) RAB9ABCL6SMN1; SMN2CTSLCTSS
SCHEMBL14537238 0.91 SMN1; SMN2 (0.57) RAB9ABCL6SMN1; SMN2CTSLCTSS
SCHEMBL14533513 0.90 CTSS (0.50) RAB9ABCL6SMN1; SMN2CTSLCTSS
SCHEMBL14613060 0.89 CTSS (0.50) RAB9ABCL6SMN1; SMN2CTSLCTSS
SCHEMBL14635367 0.87 CTSS (0.45) RAB9ABCL6SMN1; SMN2CTSLCTSS
SCHEMBL13326019 0.87 RAB9A (0.66) RAB9ABCL6SMN1; SMN2CTSLCTSS
SCHEMBL14472384 0.86 SMN1; SMN2 (0.48) RAB9ABCL6SMN1; SMN2CTSLCTSS
SCHEMBL4829781 0.86 RAB9A (0.65) RAB9ABCL6SMN1; SMN2CTSLCTSS
SCHEMBL14293830 0.85 RAB9A (0.67) RAB9ABCL6SMN1; SMN2CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 — — US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 — — US disclosed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 — — US disclosed
US-7163943-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-16 — — 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS RAB9A 4709/4885BCL6 2097/4885SMN1; SMN2 4172/4885
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof AREG, TGFB1, TGFB2 RAB9A 4747/4885BCL6 2802/4885SMN1; SMN2 3890/4885

“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.

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