SCHEMBL2490863

SCHEMBL2490863

NC(=O)c1sc(-n2cnc3ccc(CN4CCOCC4)cc32)nc1-c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
MCHR1 Q99705 3/20 0.45
PRKD3 O94806 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKD1 Q15139 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4B Q07343 2/20 0.41
PLK1 P53350 3/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3C2B O00750 1/20 0.41
RIOK3 O14730 1/20 0.41
DAPK3 O43293 1/20 0.41
PIP5K1C O60331 1/20 0.41
RPS6KA4 O75676 1/20 0.41

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
SCHEMBL2539009 0.92 MCHR1 (0.43) JAK2MCHR1PRKD3PLK1PIK3CD
SCHEMBL2492510 0.91 PLK1 (0.49) JAK2MCHR1PRKD3ALDH1A1PLK1
SCHEMBL2542413 0.90 AVPR1B (0.42) JAK2MCHR1SMN1; SMN2PLK1
SCHEMBL2533110 0.90 PLK1 (0.42) JAK2MCHR1PRKD3SMN1; SMN2ALDH1A1
SCHEMBL2491486 0.90 GRM2 (0.40) JAK2MCHR1PRKD3PLK1PIK3CD
SCHEMBL2538138 0.88 MCHR1 (0.40) JAK2MCHR1PRKD3ALDH1A1PLK1
SCHEMBL2538285 0.86 TSHR (0.40) JAK2MCHR1PRKD3ALDH1A1PLK1
SCHEMBL2532211 0.86 KDM4E (0.49) MCHR1ADORA2AADORA1
SCHEMBL2536136 0.86 AVPR1B (0.49)
SCHEMBL2532294 0.85 AVPR1B (0.47) MCHR1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US claimed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US claimed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 JAK2 30/4885MCHR1 3894/4885PRKD3 3028/4885

“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.