SCHEMBL870868

SCHEMBL870868

CN(Cc1ccccc1)C(=O)c1cccc(-n2c(=O)n(C3CCC(N)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
F10 P00742 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
PLAT P00750 1/20 0.35
ADORA2A P29274 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL10222006 1.00 ATM (0.45) ATMKMT2AMEN1F10ALDH1A1
Hydrochloric Acid SCHEMBL870318 0.99 ATM (0.44) ATMKMT2AMEN1F10ALDH1A1
Hydrochloric Acid SCHEMBL870319 0.99 ATM (0.44) ATMKMT2AMEN1F10ALDH1A1
SCHEMBL3011812 0.90 ATM (0.43) ATMKMT2AMEN1F10ALDH1A1
SCHEMBL3023161 0.90 ATM (0.43) ATMKMT2AMEN1F10ALDH1A1
SCHEMBL871710 0.89 ATM (0.42) ATMKMT2AMEN1F10ALDH1A1
SCHEMBL871709 0.89 ATM (0.42) ATMKMT2AMEN1F10ALDH1A1
SCHEMBL10271891 0.86 ATM (0.40) ATMKMT2AMEN1F10ALDH1A1
SCHEMBL871920 0.85 SSTR2 (0.39) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL871921 0.85 SSTR2 (0.39) KMT2AMEN1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
CN-101636388-B 637 pyridopyrimidinediones as PDE4 inhibitors ASTRAZENECA AB 2013-09-18 CN disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
CN-101636388-A Compound 637: pyridopyrimidinediones as PDE4 inhibitors ASTRAZENECA AB 2010-01-27 CN disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 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 (3 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B ATM 2403/4885KMT2A 3697/4885MEN1 2567/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B ATM 2403/4885KMT2A 3697/4885MEN1 2567/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A ATM 1581/4885KMT2A 2669/4885MEN1 1966/4885

“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.