SCHEMBL870223

SCHEMBL870223

O=C(O)c1cc(F)cnc1Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.53
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MGLL Q99685 1/20 0.48
CYP1A2 P05177 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
GMNN O75496 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TTR P02766 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
UGT1A1 P22309 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL15636037 0.89 DHODH (0.58) DHODHCYP1A2LMNAMEN1GMNN
SCHEMBL15635777 0.88 LMNA (0.58) DHODHCYP1A2LMNAMEN1GMNN
SCHEMBL869587 0.84 DHODH (0.46) DHODHCYP1A2LMNAMEN1GMNN
SCHEMBL870854 0.84 SYK (0.45) DHODHCYP1A2LMNAMEN1GMNN
SCHEMBL17110905 0.82 AKR1C3 (0.55) CYP1A2MEN1ALDH1A1PKMKMT2A
SCHEMBL4874399 0.81 MEN1 (0.49) DHODHCYP1A2LMNAMEN1GMNN
SCHEMBL17363188 0.81 SYK (0.56) MEN1ALDH1A1KMT2ACDC7
SCHEMBL17110898 0.81 MEN1 (0.68) DHODHCYP1A2MEN1ALDH1A1PKM
SCHEMBL15638933 0.80 DHODH (0.64) DHODHHDAC3HDAC1HDAC2HDAC6
SCHEMBL4775826 0.80 PDE5A (0.53) CYP1A2LMNAMEN1ALDH1A1PKM

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 14 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
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
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 DHODH 808/4885HDAC3 690/4885HDAC1 596/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B DHODH 808/4885HDAC3 690/4885HDAC1 596/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A DHODH 275/4885HDAC3 1110/4885HDAC1 526/4885

“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.