SCHEMBL3022489

SCHEMBL3022489

O=C(O)NC1CCC(NC(=O)c2cc(F)cnc2Nc2cccc(I)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
BTK Q06187 1/20 0.44
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
CNR2 P34972 1/20 0.41
MAP4K4 O95819 2/20 0.40
CSNK2A1 P68400 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
ITK Q08881 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
SYK P43405 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
NTRK1 P04629 1/20 0.37

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
SCHEMBL3022482 1.00 EGFR (0.44) EGFRBTKPIM1PIM2CNR2
SCHEMBL8179750 0.91 SMYD3 (0.42) EGFRBTKPIM1PIM2CNR2
SCHEMBL3833325 0.90 EGFR (0.40) EGFRBTKPIM1PIM2CNR2
SCHEMBL13551555 0.86 ITK (0.42) EGFRBTKPIM1PIM2CNR2
SCHEMBL871576 0.86 SYK (0.41) EGFRBTKPIM1PIM2CNR2
SCHEMBL3695837 0.86 SYK (0.41) EGFRBTKPIM1PIM2CNR2
SCHEMBL871041 0.86 EGFR (0.39) EGFRBTKPIM1PIM2CNR2
SCHEMBL871040 0.86 EGFR (0.39) EGFRBTKPIM1PIM2CNR2
SCHEMBL4880802 0.85 MAPT (0.51) EGFRBTKPIM1PIM2CNR2
SCHEMBL4880785 0.85 MAPT (0.51) EGFRBTKPIM1PIM2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010004319-A1 COMBINATION COMPRISING 6-FLU0R0-N- ((1S, 4S) - 4- (6-FLUORO-2, 4-DI0X0-1- (4'- (PIPERAZIN-1- YLMETHYL) BIPHENYL- 3-YL) -1, 2-DIHYDROPYRIDO [2, 3-D] PYRIMIDIN-3 (4H) - YL) CYCLOHEXYL) IMIDAZO [1,2-A] PYRIDINE -2- CARBOXAMIDE OR A SALT ASTRAZENECA AB (SE) 2010-01-14 WO claimed
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
WO-2010004319-A1 COMBINATION COMPRISING 6-FLU0R0-N- ((1S, 4S) - 4- (6-FLUORO-2, 4-DI0X0-1- (4'- (PIPERAZIN-1- YLMETHYL) BIPHENYL- 3-YL) -1, 2-DIHYDROPYRIDO [2, 3-D] PYRIMIDIN-3 (4H) - YL) CYCLOHEXYL) IMIDAZO [1,2-A] PYRIDINE -2- CARBOXAMIDE OR A SALT ASTRAZENECA AB (SE) 2010-01-14 WO 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 (2 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-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B EGFR 4713/4885BTK 1387/4885PIM1 3207/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A EGFR 4569/4885BTK 1669/4885PIM1 3097/4885

“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.