SCHEMBL111185

SCHEMBL111185

CC(C)N1CCN(Cc2cnc(-c3cc(Cl)cc4c3cnn4S(=O)(=O)c3ccccc3)o2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
HTR6 P50406 9/20 0.39
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL19221842 0.88 HTR6 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGHTR6
SCHEMBL109125 0.86 KMT2A (0.36) PIK3CDPIK3CAPIK3CBPIK3CGHTR6
SCHEMBL660444 0.84 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGHTR6
SCHEMBL657902 0.84 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGHTR6
SCHEMBL15049938 0.84 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGHTR6
SCHEMBL661574 0.84 CCNK (0.39) PIK3CAHTR6
SCHEMBL470203 0.84 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGHTR6
SCHEMBL10280769 0.83 CNR2 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGHTR6
SCHEMBL456984 0.81 HTR6 (0.37) HTR6ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL110755 0.81 HTR6 (0.39) HTR6ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3260453-B1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LTD (GB) 2021-03-31 EP disclosed
US-10946025-B2 Compounds GLAXO GROUP LIMITED (GB) 2021-03-16 US disclosed
US-10946025-B2 Compounds GLAXO GROUP LIMITED (GB) 2021-03-16 US disclosed
US-20200206237-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2020-07-02 US disclosed
US-20200206237-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2020-07-02 US disclosed
US-10624898-B2 Compounds GLAXO GROUP LIMITED (GB) 2020-04-21 US disclosed
US-10624898-B2 Compounds GLAXO GROUP LIMITED (GB) 2020-04-21 US disclosed
US-20190328744-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2019-10-31 US disclosed
US-20190328744-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2019-10-31 US disclosed
US-10383879-B2 Compounds GLAXO GROUP LIMITED (GB) 2019-08-20 US disclosed
US-20120046286-A1 Novel Compounds HAMBLIN JULIE NICOLE (GB) 2012-02-23 US disclosed
US-20120046286-A1 Novel Compounds HAMBLIN JULIE NICOLE (GB) 2012-02-23 US disclosed
US-20100280045-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280045-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280045-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280029-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280029-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280029-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
WO-2010125082-A1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125082-A1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO 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 (8 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-10624898-B2 Compounds PIK3CA, PIK3CD, PIK3C3 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 5/4885
US-10383879-B2 Compounds PIK3CA, PIK3CD, PIK3C3 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 5/4885
US-10946025-B2 Compounds PIK3CA, PIK3CD, PIK3C3 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 5/4885
US-20190328744-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3CD 2/4885PIK3CA 1/4885PIK3CB 4/4885
US-20100280045-A1 NOVEL COMPOUNDS PLK3, PLK1, PLK2 PIK3CD 73/4885PIK3CA 70/4885PIK3CB 51/4885
US-20100280029-A1 NOVEL COMPOUNDS PIK3CD, PIK3CA, PIK3C2B PIK3CD 1/4885PIK3CA 2/4885PIK3CB 4/4885
US-20120046286-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B PIK3CD 1/4885PIK3CA 2/4885PIK3CB 4/4885
US-20200206237-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3CD 2/4885PIK3CA 1/4885PIK3CB 4/4885

“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.