SCHEMBL870322

SCHEMBL870322

O=C(O)c1cc(F)cnc1Nc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.51
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
HNF4A P41235 1/20 0.43
GSK3B P49841 2/20 0.43
GSK3A P49840 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
PRKAA2 P54646 1/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
AURKA O14965 2/20 0.42
CDC7 O00311 2/20 0.42
MAPK8 P45983 1/20 0.42
ALK Q9UM73 1/20 0.42
SYK P43405 1/20 0.41
PDE4B Q07343 2/20 0.40
DAPK3 O43293 1/20 0.40
PAK4 O96013 1/20 0.40

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
SCHEMBL870854 0.90 SYK (0.45) DHODHCTSVCTSLHNF4AGSK3B
SCHEMBL15636037 0.88 DHODH (0.58) DHODHGSK3BGSK3ASMN1; SMN2GAA
SCHEMBL15638933 0.85 DHODH (0.64) DHODHGSK3BGSK3ASMN1; SMN2GAA
SCHEMBL4770418 0.79 DHODH (0.49) DHODHGSK3BGSK3ASMN1; SMN2GAA
SCHEMBL15635777 0.79 LMNA (0.58) DHODHGSK3BGSK3AMEN1KMT2A
SCHEMBL870223 0.78 DHODH (0.53) DHODHGSK3BMEN1KMT2AAURKA
SCHEMBL17110947 0.78 SYK (0.51) DHODHGSK3BGSK3ASMN1; SMN2RAB9A
SCHEMBL871472 0.77 ERBB2 (0.60) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL870804 0.76 KDM4E (0.55) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL9128053 0.76 MAPT (0.53) DHODHSMN1; SMN2AURKACDC7MAPK8

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 808/4885CTSV 3337/4885CTSL 2973/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B DHODH 808/4885CTSV 3337/4885CTSL 2973/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A DHODH 275/4885CTSV 3638/4885CTSL 3523/4885

“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.