SCHEMBL439136

SCHEMBL439136

Cc1sc2ncnc(O)c2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.52
LIMK1 P53667 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL439239 0.81 NOTUM (0.51) NOTUMLIMK1L3MBTL1ALDH1A1LMNA
SCHEMBL6642198 0.81 LIMK1 (0.61) NOTUMLIMK1L3MBTL1ALDH1A1LMNA
SCHEMBL10325258 0.79 NOTUM (0.54) NOTUMLIMK1L3MBTL1ALDH1A1LMNA
SCHEMBL10343546 0.78 LIMK1 (0.44) NOTUMLIMK1L3MBTL1ALDH1A1LMNA
SCHEMBL1604200 0.78 NOTUM (0.52) NOTUMLIMK1L3MBTL1ALDH1A1LMNA
SCHEMBL439106 0.73 NOTUM (0.41) NOTUMLIMK1L3MBTL1ALDH1A1LMNA
SCHEMBL6665665 0.71 FGFR1 (0.62) LIMK1ALDH1A1LMNAMAPK1HPGD
SCHEMBL10325524 0.70 NOTUM (0.49) NOTUMLIMK1L3MBTL1ALDH1A1LMNA
SCHEMBL438058 0.70 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL1604779 0.69 LIMK1 (0.61) NOTUMLIMK1L3MBTL1ALDH1A1LMNA

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
EP-2616471-B1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 US disclosed
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 US disclosed
WO-2012037141-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 US disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 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-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885LIMK1 3034/4885L3MBTL1 794/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885LIMK1 3034/4885L3MBTL1 794/4885

“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.