SCHEMBL5213834

SCHEMBL5213834

C[C@@H]1OCCN(c2cc(N3CCOCC3)nc(-n3cnc4ccccc43)n2)[C@H]1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 3/20 0.58
LCK P06239 3/20 0.54
PDCD1 Q15116 7/20 0.53
CD274 Q9NZQ7 7/20 0.53
ATR Q13535 6/20 0.53
CHEK1 O14757 5/20 0.53
ATRIP Q8WXE1 5/20 0.53
HRH4 Q9H3N8 1/20 0.45
PIK3CD O00329 1/20 0.44
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
HTT P42858 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 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
SCHEMBL5213821 1.00 PIK3CB (0.58) PIK3CBLCKPDCD1CD274ATR
SCHEMBL5213813 1.00 PIK3CB (0.58) PIK3CBLCKPDCD1CD274ATR
SCHEMBL6625790 1.00 PIK3CB (0.58) PIK3CBLCKPDCD1CD274ATR
SCHEMBL6625795 1.00 PIK3CB (0.58) PIK3CBLCKPDCD1CD274ATR
SCHEMBL6626074 0.94 PIK3CB (0.53) PIK3CBLCKPDCD1CD274ATR
SCHEMBL6625597 0.94 PIK3CB (0.53) PIK3CBLCKPDCD1CD274ATR
SCHEMBL6625592 0.94 PIK3CB (0.53) PIK3CBLCKPDCD1CD274ATR
SCHEMBL6625589 0.94 PIK3CB (0.53) PIK3CBLCKPDCD1CD274ATR
SCHEMBL6626063 0.94 PIK3CB (0.53) PIK3CBLCKPDCD1CD274ATR
SCHEMBL6626512 0.92 PIK3CB (0.58) PIK3CBLCKPDCD1CD274ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1557415-B1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2012-06-06 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
EP-1389617-B1 HETEROCYCLIC COMPOUND AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2007-01-03 EP disclosed
US-7153853-B2 Heterocyclic compounds and antitumor drugs containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-12-26 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 (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-20060009440-A1 Heterocyclic compounds and antitumor drugs containing the same as the active ingredient NCOR1, NR0B1, HCAR3 PIK3CB 2950/4885LCK 3279/4885PDCD1 2629/4885
US-20060247232-A1 Heterocyclic compound and antitumor agent containing the same as effective ingredient CBR3, HCCS, CBR1 PIK3CB 3376/4885LCK 1651/4885PDCD1 1682/4885

“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.