SCHEMBL3602935

SCHEMBL3602935

Cc1nc(NC(=N)N)sc1-c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.48
PIK3CG P48736 9/20 0.48
PIK3CA P42336 6/20 0.48
PIK3CB P42338 5/20 0.48
C1S P09871 1/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PIK3C3 Q8NEB9 3/20 0.43
PIK3C2A O00443 1/20 0.43
PIK3C2B O00750 1/20 0.43
PI4KA P42356 1/20 0.43
PRKDC P78527 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
RPS6KA3 P51812 6/20 0.42
CHEK2 O96017 4/20 0.42
F2 P00734 1/20 0.41
DHFR P00374 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
SCHEMBL11310119 0.84 MAPT (0.47) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL7140438 0.82 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL3602972 0.82 PIK3CD (0.50) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL11325097 0.81 MEN1 (0.57) PIK3CDPIK3CGPIK3CAMEN1MAPT
SCHEMBL3606538 0.80 MAPT (0.46) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL3598571 0.80 MEN1 (0.52) MEN1MAPTKMT2AALDH1A1
SCHEMBL3610837 0.78 ABL1 (0.56) C1SMEN1MAPTKMT2AALDH1A1
SCHEMBL13074374 0.74 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL3608584 0.73 PIK3CG (0.51) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
Hydrochloric Acid SCHEMBL7142142 0.72 PIK3CD (0.50) PIK3CDPIK3CGPIK3CAPIK3CBMEN1

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 14 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-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
CN-1080720-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-03-13 CN 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
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN 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 PIK3CD 3749/4885PIK3CG 3998/4885PIK3CA 2428/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 PIK3CD 3802/4885PIK3CG 4303/4885PIK3CA 4429/4885

“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.