SCHEMBL109862

SCHEMBL109862

CCOC(=O)c1cnc(-c2cc(Cl)cc3c2cnn3S(=O)(=O)c2ccccc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
TP53 P04637 1/20 0.36
HIF1A Q16665 1/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
P2RY12 Q9H244 1/20 0.36

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
SCHEMBL111538 0.91 KMT2A (0.39) ALDH1A1NPSR1MAPK1MEN1KMT2A
SCHEMBL458128 0.88 HTR6 (0.39) NPSR1KMT2A
SCHEMBL27933957 0.83 HTR6 (0.35) ALDH1A1LMNANPSR1HTTMAPT
SCHEMBL27933961 0.82 HTR6 (0.36) ALDH1A1NPSR1
SCHEMBL19221917 0.80 ALDH1A1 (0.35) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL456984 0.80 HTR6 (0.37) ALDH1A1NPSR1MAPT
SCHEMBL111404 0.80 LMNA (0.36) ALDH1A1LMNANPSR1HTTPKM
SCHEMBL18389137 0.78 HTR6 (0.39) ALDH1A1LMNANPSR1HTTPKM
SCHEMBL109125 0.76 KMT2A (0.36) ALDH1A1NPSR1KMT2ATSHR
SCHEMBL19221842 0.75 HTR6 (0.38) ALDH1A1HTTMAPTMEN1KMT2A

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 115 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
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-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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 ALDH1A1 2224/4885LMNA 4445/4885NPSR1 2131/4885
US-10946025-B2 Compounds PIK3CA, PIK3CD, PIK3C3 ALDH1A1 2224/4885LMNA 4445/4885NPSR1 2131/4885
US-20190328744-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B ALDH1A1 2899/4885LMNA 4593/4885NPSR1 2317/4885
US-20100280045-A1 NOVEL COMPOUNDS PLK3, PLK1, PLK2 ALDH1A1 3472/4885LMNA 1325/4885NPSR1 3968/4885
US-20100280029-A1 NOVEL COMPOUNDS PIK3CD, PIK3CA, PIK3C2B ALDH1A1 2100/4885LMNA 4672/4885NPSR1 2837/4885
US-20120046286-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B ALDH1A1 2100/4885LMNA 4672/4885NPSR1 2837/4885
US-20200206237-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B ALDH1A1 2899/4885LMNA 4593/4885NPSR1 2317/4885

“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.