SCHEMBL870110

SCHEMBL870110

O=C(O)c1cc(F)cnc1NCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.55
MAPT P10636 2/20 0.52
PPARA Q07869 3/20 0.50
PTGER4 P35408 1/20 0.50
STING1 Q86WV6 1/20 0.50
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CISD1 Q9NZ45 1/20 0.45
USP10 Q14694 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
USP13 Q92995 1/20 0.45
ASPH Q12797 2/20 0.44
RIOX2 Q8IUF8 2/20 0.44
KDM8 Q8N371 2/20 0.44

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
SCHEMBL18070889 0.82 AGTR1 (0.56) P4HTMMAPTPPARASTING1KMT2A
SCHEMBL12941900 0.81 P4HTM (0.51) P4HTMMAPTPPARASTING1KDM4E
SCHEMBL1715643 0.80 DHODH (0.63) P4HTMMAPTKMT2ACYP1A2CYP2C19
SCHEMBL3576168 0.79 JAK2 (0.43) PTGER4KDM4EASPHKDM8
SCHEMBL15636136 0.79 CHRNA7 (0.47) MAPTPPARAPTGER4
SCHEMBL6104425 0.78 CISD1 (0.49) P4HTMMAPTPPARASTING1KMT2A
SCHEMBL870804 0.78 KDM4E (0.55) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL15638933 0.78 DHODH (0.64) MAPTKMT2AALDH1A1AURKAGAA
SCHEMBL15638719 0.78 CHRNA7 (0.47) PPARAPTGER4KDM4E
SCHEMBL25435346 0.77 P4HTM (0.51) P4HTMMAPTPPARASTING1KMT2A

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 16 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
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
CN-102532135-A Chemical compounds 637: pyridopyrimidinediones as pde4 inhibitors ASTRAZENECA AB 2012-07-04 CN disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US 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
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 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
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US 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
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 P4HTM 993/4885MAPT 3006/4885PPARA 1476/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B P4HTM 993/4885MAPT 3006/4885PPARA 1476/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A P4HTM 901/4885MAPT 2491/4885PPARA 1632/4885

“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.