SCHEMBL3602965

SCHEMBL3602965

Cc1nc(NC(=N)N)sc1-c1cccc(NC(=O)CC(CC(=O)O)c2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.43
ITGAV P06756 10/20 0.43
ITGA2B P08514 10/20 0.43
CTSA P10619 1/20 0.41
PIK3CG P48736 4/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
XIAP P98170 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 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
SCHEMBL3602477 0.92 XIAP (0.45) PIK3CGPIK3CAPIK3CDPIK3CBXIAP
SCHEMBL3602040 0.88 FNTA (0.43) CTSAPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL3593206 0.88 FNTA (0.46) ITGB3ITGAVITGA2BPIK3CGPIK3CA
SCHEMBL3610900 0.86 MEN1 (0.51) PI4KBALDH1A1LMNAGAAMAPT
SCHEMBL3611002 0.86 FNTA (0.48) ITGB3ITGAVXIAPPI4KBALDH1A1
SCHEMBL3602979 0.84 XIAP (0.45) PIK3CGPIK3CAPIK3CDPIK3CBXIAP
SCHEMBL3608529 0.84 XIAP (0.47) PIK3CGPIK3CAPIK3CDPIK3CBXIAP
SCHEMBL3603696 0.83 MEN1 (0.43) PIK3CGPIK3CAPIK3CDPIK3CBXIAP
Hydrochloric Acid SCHEMBL7145803 0.82 MEN1 (0.43) PIK3CGPIK3CAPIK3CDPIK3CBXIAP
SCHEMBL3610431 0.82 FNTA (0.50) XIAPALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP claimed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US claimed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ITGB3 7/4885ITGAV 109/4885ITGA2B 106/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 ITGB3 4417/4885ITGAV 4452/4885ITGA2B 3649/4885

“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.