SCHEMBL2950976

SCHEMBL2950976

Cc1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 17/20 1.00
PIK3CD O00329 8/20 1.00
PIK3CA P42336 8/20 1.00
PIK3CG P48736 5/20 1.00
PIK3R1 P27986 4/20 0.69
PIK3C2B O00750 1/20 0.69
MTOR P42345 1/20 0.69

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
SCHEMBL29407245 0.93 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL28710126 0.93 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL17403646 0.92 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL6622695 0.89 PIK3CB (0.79) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL6622699 0.89 PIK3CB (0.79) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL1430469 0.88 PIK3CB (0.77) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL8008734 0.88 PIK3CB (0.77) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3704565 0.87 PIK3CB (0.78) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL1431026 0.87 PIK3CB (0.76) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL7999518 0.86 PIK3CA (0.74) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864665-B1 IMMUNOSUPPRESSIVE AGENT COMPRISING A HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2012-05-16 EP claimed
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-05-15 US claimed
EP-1864665-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-12 EP claimed
US-8338414-B2 Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-12-25 US disclosed
EP-1557415-B1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2012-06-06 EP disclosed
EP-1864665-B1 IMMUNOSUPPRESSIVE AGENT COMPRISING A HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2012-05-16 EP disclosed
US-20100267700-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2010-10-21 US disclosed
US-7750001-B2 Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2010-07-06 US disclosed
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-05-15 US disclosed
EP-1864665-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-12 EP disclosed
US-7307077-B2 Heterocyclic compound and antitumor agent containing the same as effective ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-11 US disclosed
US-20060247232-A1 Heterocyclic compound and antitumor agent containing the same as effective ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-11-02 US disclosed
US-7071189-B2 Heterocyclic compound and antitumor agent containing the same as active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-07-04 US disclosed
US-20060009440-A1 Heterocyclic compounds and antitumor drugs containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-01-12 US disclosed
EP-1557415-A1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2005-07-27 EP disclosed
US-20040116421-A1 Heterocyclic compound and antitumor agent containing the same as active ingredient OHARA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 US disclosed
EP-1389617-A1 HETEROCYCLIC COMPOUND AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2004-02-18 EP disclosed
EP-1020462-B1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2004-02-11 EP disclosed
US-6251900-B1 Heterocyclic compounds and antitumor agent containing the same as active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2001-06-26 US disclosed
EP-1020462-A1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 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 (4 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-20100267700-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT IL2, NFATC1, CD47 PIK3CB 2354/4885PIK3CD 1584/4885PIK3CA 2655/4885
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT IL2, NFATC1, CD47 PIK3CB 2354/4885PIK3CD 1584/4885PIK3CA 2655/4885
US-20060009440-A1 Heterocyclic compounds and antitumor drugs containing the same as the active ingredient NCOR1, NR0B1, HCAR3 PIK3CB 2950/4885PIK3CD 2753/4885PIK3CA 1710/4885
US-20060247232-A1 Heterocyclic compound and antitumor agent containing the same as effective ingredient CBR3, HCCS, CBR1 PIK3CB 3376/4885PIK3CD 3539/4885PIK3CA 2412/4885

“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.