SCHEMBL870152

SCHEMBL870152

Cc1cc(C(=O)N[C@H]2CC[C@@H](n3c(=O)c4cc(F)cnc4n(-c4cccc(I)c4)c3=O)CC2)nn1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
ABCB1 P08183 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
TYK2 P29597 3/20 0.37
HTR3A P46098 2/20 0.36
PDE4D Q08499 2/20 0.36

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
SCHEMBL870153 1.00 PDE4B (0.41) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3011823 0.87 ABCB1 (0.39) PDE4BABCB1MAP2K2MAP2K1TYK2
SCHEMBL3011826 0.87 ABCB1 (0.39) PDE4BABCB1MAP2K2MAP2K1TYK2
SCHEMBL870526 0.86 PDE4B (0.45) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL870527 0.86 PDE4B (0.45) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL870124 0.86 NPC1 (0.45) PDE4BCYP2C19ABCB1MAP2K2MAP2K1
SCHEMBL16104306 0.86 NPC1 (0.45) PDE4BCYP2C19ABCB1MAP2K2MAP2K1
SCHEMBL870125 0.86 NPC1 (0.45) PDE4BCYP2C19ABCB1MAP2K2MAP2K1
SCHEMBL871893 0.83 MELK (0.37) PDE4BABCB1MAP2K2MAP2K1TYK2
SCHEMBL871894 0.83 MELK (0.37) PDE4BABCB1MAP2K2MAP2K1TYK2

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 12 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
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

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 PDE4B 2/4885CYP3A4 116/4885CYP2C9 835/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CYP3A4 116/4885CYP2C9 835/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CYP3A4 73/4885CYP2C9 688/4885

“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.