SCHEMBL1108345

SCHEMBL1108345

CC(C)c1nnc2[nH]c(=O)[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
PDE3B Q13370 2/20 0.30
PDE3A Q14432 2/20 0.30

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
SCHEMBL18238554 0.69 TYRO3 (0.56) PDE3BPDE3A
SCHEMBL18238553 0.64 RPS6KA3 (0.38) MAPTPDE3BPDE3A
SCHEMBL12890926 0.61 CYP1A2 (0.31)
SCHEMBL16939766 0.59 PDE3B (0.44) PDE3BPDE3A
SCHEMBL11802553 0.58 HRH4 (0.34)
SCHEMBL18850852 0.58 TYRO3 (0.36) MAPTPDE3BPDE3A
SCHEMBL2600731 0.58 ALDH1A1 (0.42)
SCHEMBL22652124 0.57 MAPK8 (0.44) MAPTPDE3BPDE3A
SCHEMBL4406429 0.55 CDK5 (0.42) MAPTPDE3BPDE3A
SCHEMBL14493337 0.55 BLM (0.70) MAPTPDE3BPDE3A

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 7 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-7872003-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2011-01-18 US disclosed
US-20080207609-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 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-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 MAPT 1800/4885PDE3B 3089/4885PDE3A 2482/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 MAPT 403/4885PDE3B 1701/4885PDE3A 1396/4885
US-20080207609-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 MAPT 2811/4885PDE3B 450/4885PDE3A 512/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 MAPT 403/4885PDE3B 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.