SCHEMBL3603836

SCHEMBL3603836

CCOc1ccccc1Nc1nc(-c2ccc(C#N)cc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALOX5 P09917 2/20 0.56
VCP P55072 1/20 0.52
CFTR P13569 2/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 2/20 0.47

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
SCHEMBL14458516 0.87 ALOX5 (0.72) MAPTALDH1A1KDM4ETDP1ALOX5
SCHEMBL837871 0.80 MEN1 (0.64) MAPTALDH1A1KDM4ETDP1ALOX5
SCHEMBL12298086 0.79 CFTR (0.64) MAPTKDM4EALOX5VCPCFTR
SCHEMBL3607273 0.79 MAPT (0.58) MAPTALDH1A1KDM4ETDP1ALOX5
SCHEMBL23742654 0.79 VCP (0.58) MAPTKDM4EALOX5VCPCFTR
SCHEMBL4080677 0.79 ALOX5 (0.70) MAPTALDH1A1KDM4EALOX5VCP
SCHEMBL12136771 0.79 RAB9A (0.77) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL6115386 0.76 KDM4E (0.41) MAPTALDH1A1KDM4ETDP1ALOX5
SCHEMBL12136708 0.76 MAPT (0.72) MAPTALDH1A1KDM4ETDP1CFTR
SCHEMBL12136779 0.74 MAPT (1.00) MAPTALDH1A1KDM4ETDP1CFTR

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
US-20100022592-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-28 US disclosed
US-20100022592-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-28 US disclosed
EP-2121675-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008103500-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-08-28 WO disclosed
WO-2008103500-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-08-28 WO 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-20100022592-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS GPR119, GPR65, GPR180 MAPT 3596/4885ALDH1A1 1885/4885KDM4E 4170/4885

“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.