SCHEMBL1109019

SCHEMBL1109019

CC(C)(C)c1nnc2ccc(=O)[nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 18/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL17489428 0.77 HCAR1 (0.38) HCAR1PDE3BPDE3A
SCHEMBL1109023 0.75
SCHEMBL21455110 0.72 MAPK8 (0.39) PDE3BPDE3A
SCHEMBL8266929 0.69 PDE3B (0.32) HCAR1PDE3BPDE3A
SCHEMBL22487725 0.64 L3MBTL1 (0.43) HCAR1
SCHEMBL22487732 0.64 L3MBTL1 (0.40) PDE3BPDE3A
SCHEMBL12236973 0.63 PDPK1 (0.46)
SCHEMBL13094338 0.63 CA12 (0.44) HCAR1PDE3BPDE3A
SCHEMBL6796288 0.63 HCAR1 (0.35) HCAR1
SCHEMBL30498462 0.63 HCAR1 (0.35) HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 US disclosed
US-8802670-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-08-12 US disclosed
US-8153639-B2 kinase inhibitor; immunotherapy; viricides; function or behavior associated with PI3 kinase such as cancer, immune, cardiovascular, nervous system, metabolism/endocrine and neurological diseases, viral infection, inflammation; 3-(4-Pyridin-4-yl-thieno[3,2-d]pyrimidin-2-yl)-phenol F. HOFFMAN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-20090209559-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 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 (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-20090209559-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3CD HCAR1 1834/4885PDE3B 548/4885PDE3A 690/4885
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB HCAR1 3448/4885PDE3B 3089/4885PDE3A 2482/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 HCAR1 2198/4885PDE3B 1701/4885PDE3A 1396/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 HCAR1 2198/4885PDE3B 1701/4885PDE3A 1396/4885

“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.